Summary

IMPPAT Phytochemical identifier: IMPHY016055

Phytochemical name: (-)-cis-3,4-Dimethyl-2-phenyltetrahydro-1,4-thiazine

Synonymous chemical names:
(-)-cis-3,4-dimethyl-2-phenyltetrahydro-1,4-thiazine

External chemical identifiers:
CID:559069

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Chemical structure information

SMILES:
CC1N(C)CCSC1c1ccccc1

InChI:
InChI=1S/C12H17NS/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3

InChIKey:
DSXDFPCKHIDOTD-UHFFFAOYSA-N

DeepSMILES:
CCNC)CCSC6cccccc6

Functional groups:
CN(C)C, CSC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2CNCCS2)cc1

Scaffold Graph/Node level:
C1CCC(C2CNCCS2)CC1

Scaffold Graph level:
C1CCC(C2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Thiazinanes

ClassyFire Subclass: Thiomorpholines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Piperidine alkaloids

NP-Likeness score: -0.035

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Chemical structure download