N-cyclopentyl-3-methyl-5-oxidanylidene-4-(phenylmethyl)-2,6-dihydro-[1,4]thiazepino[6,7-b]indole-3-carboxamide

Systemtic Name: N-cyclopentyl-3-methyl-5-oxidanylidene-4-(phenylmethyl)-2,6-dihydro-[1,4]thiazepino[6,7-b]indole-3-carboxamide Openeye Name: 4-benzyl-N-cyclopentyl-3-methyl-5-oxo-2,6-dihydro-[1,4]thiazepino[6,7-b]indole-3-carboxamide CAS Name: N-cyclopentyl-3-methyl-5-oxo-4-(phenylmethyl)-2,6-dihydro-[1,4]thiazepino[6,7-b]indole-3-carboxamide IUPAC Name: 4-benzyl-N-cyclopentyl-3-methyl-5-oxo-2,6-dihydro-[1,4]thiazepino[6,7-b]indole-3-carboxamide Traditional Name: 4-benzyl-N-cyclopentyl-5-keto-3-methyl-2,6-dihydro-[1,4]thiazepin[6,7-b]indole-3-carboxamide Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C(=O)N1CC3=CC=CC=C3)NC4=CC=CC=C42)C(=O)NC5CCCC5

Isomeric SMILES

CC1(CSC2=C(C(=O)N1CC3=CC=CC=C3)NC4=CC=CC=C42)C(=O)NC5CCCC5

InChI

InChI=1S/C25H27N3O2S/c1-25(24(30)26-18-11-5-6-12-18)16-31-22-19-13-7-8-14-20(19)27-21(22)23(29)28(25)15-17-9-3-2-4-10-17/h2-4,7-10,13-14,18,27H,5-6,11-12,15-16H2,1H3,(H,26,30)