Summary

Molecular formula: C18H18N2O7S2
SMILES: O[C@H]1CC(=O)[C@H]2[C@@H]([C@H]1O)N1C(=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/C18H18N2O7S2/c21-8-1-2-9(22)12-6(8)4-17-16(27)20-13-7(10(23)3-11(24)14(13)25)5-18(20,29-28-17)15(26)19(12)17/h1-2,6-7,9,11-14,22,24-25H,3-5H2/t6-,7+,9+,11+,12+,13+,14+,17-,18-/m1/s1
InChIKey: NCDIBOQDVNONGL-HISJFFBUSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCC2C1CC13SSC4(CC5C(=O)CCCC5N4C1=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 c

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External chemical identifiers:
CID_10410865; NPATLAS_NPA001189; CHEMSPIDER_78442458; ZINC_ZINC000038800445

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Chemical structure download