N-(3-ethoxypropyl)-10-methyl-3-oxidanylidene-4-propan-2-yl-5H-[1,4]thiazepino[7,6-b]indole-5-carboxamide

Systemtic Name: N-(3-ethoxypropyl)-10-methyl-3-oxidanylidene-4-propan-2-yl-5H-[1,4]thiazepino[7,6-b]indole-5-carboxamide Openeye Name: N-(3-ethoxypropyl)-4-isopropyl-10-methyl-3-oxo-5H-[1,4]thiazepino[7,6-b]indole-5-carboxamide CAS Name: N-(3-ethoxypropyl)-10-methyl-3-oxo-4-propan-2-yl-5H-[1,4]thiazepino[7,6-b]indole-5-carboxamide IUPAC Name: N-(3-ethoxypropyl)-10-methyl-3-oxo-4-propan-2-yl-5H-[1,4]thiazepino[7,6-b]indole-5-carboxamide Traditional Name: N-(3-ethoxypropyl)-4-isopropyl-3-keto-10-methyl-5H-[1,4]thiazepin[7,6-b]indole-5-carboxamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1C2=C(N(C3=CC=CC=C32)C)SCC(=O)N1C(C)C

Isomeric SMILES

CCOCCCNC(=O)C1C2=C(N(C3=CC=CC=C32)C)SCC(=O)N1C(C)C

InChI

InChI=1S/C21H29N3O3S/c1-5-27-12-8-11-22-20(26)19-18-15-9-6-7-10-16(15)23(4)21(18)28-13-17(25)24(19)14(2)3/h6-7,9-10,14,19H,5,8,11-13H2,1-4H3,(H,22,26)