Summary

IMPPAT Phytochemical identifier: IMPHY006200

Phytochemical name: N-(2-Hydroxyethyl)-3-methylthiopropenamide

Synonymous chemical names:
entadamide a

External chemical identifiers:
CID:6439215, ChEMBL:CHEMBL2235398, SureChEMBL:SCHEMBL18297867

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Chemical structure information

SMILES:
CS/C=C/C(=O)NCCO

InChI:
InChI=1S/C6H11NO2S/c1-10-5-2-6(9)7-3-4-8/h2,5,8H,3-4H2,1H3,(H,7,9)/b5-2+

InChIKey:
NBRCIHAGNJRRRI-GORDUTHDSA-N

DeepSMILES:
CS/C=C/C=O)NCCO

Functional groups:
CNC(=O)/C=C/SC, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Amines

NP-Likeness score: 0.859

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Chemical structure download