Summary

Molecular formula: C18H16N2O6S2
SMILES: O[C@@H]1C=CC(=O)[C@H]2[C@@H]1N1C(=O)[C@@]34SS[C@@]1(C2)C(=O)N4[C@H]1[C@@H](C3)C(=O)C=C[C@@H]1O
InChI: InChI=1S/C18H16N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h1-4,7-8,11-14,23-24H,5-6H2/t7-,8-,11-,12+,13-,14-,17-,18-/m0/s1
InChIKey: RCODXLGTKJXDNC-ZSWOQMQUSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCC2C1CC13SSC4(CC5C(=O)C=CCC5N4C1=O)C(=O)N23

Scaffold Graph/Node level:
OC1CCCC2C1CC13SSC4(CC5C(O)CCCC5N4C1O)C(O)N23

Scaffold Graph level:
CC1CCCC2C1CC13CCC4(CC5C(C)CCCC5C4C1C)C(C)C23

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Chemical classification

Kingdom: Organic compounds
Super class: Organoheterocyclic compounds
Class: Diazinanes
Sub class: Piperazines

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Synonymous chemical names:
epicorazine a

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External chemical identifiers:
CID_139589132; CAS_62256-05-7

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Chemical structure download