N-cycloheptyl-10-methyl-4-(4-methylphenyl)-3-oxidanylidene-5H-[1,4]thiazepino[7,6-b]indole-5-carboxamide

Systemtic Name: N-cycloheptyl-10-methyl-4-(4-methylphenyl)-3-oxidanylidene-5H-[1,4]thiazepino[7,6-b]indole-5-carboxamide Openeye Name: N-cycloheptyl-10-methyl-3-oxo-4-(p-tolyl)-5H-[1,4]thiazepino[7,6-b]indole-5-carboxamide CAS Name: N-cycloheptyl-10-methyl-4-(4-methylphenyl)-3-oxo-5H-[1,4]thiazepino[7,6-b]indole-5-carboxamide IUPAC Name: N-cycloheptyl-10-methyl-4-(4-methylphenyl)-3-oxo-5H-[1,4]thiazepino[7,6-b]indole-5-carboxamide Traditional Name: N-cycloheptyl-3-keto-10-methyl-4-(p-tolyl)-5H-[1,4]thiazepin[7,6-b]indole-5-carboxamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C3=C(N(C4=CC=CC=C43)C)SCC2=O)C(=O)NC5CCCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C3=C(N(C4=CC=CC=C43)C)SCC2=O)C(=O)NC5CCCCCC5

InChI

InChI=1S/C27H31N3O2S/c1-18-13-15-20(16-14-18)30-23(31)17-33-27-24(21-11-7-8-12-22(21)29(27)2)25(30)26(32)28-19-9-5-3-4-6-10-19/h7-8,11-16,19,25H,3-6,9-10,17H2,1-2H3,(H,28,32)