2-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]sulfanyl-N-(2,5-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]sulfanyl-N-(2,5-dimethoxyphenyl)ethanamide Openeye Name: 2-[1-[2-(azepan-1-yl)-2-oxo-ethyl]indol-3-yl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide CAS Name: 2-[[1-[2-(1-azepanyl)-2-oxoethyl]-3-indolyl]thio]-N-(2,5-dimethoxyphenyl)acetamide IUPAC Name: 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide Traditional Name: 2-[[1-[2-(azepan-1-yl)-2-keto-ethyl]indol-3-yl]thio]-N-(2,5-dimethoxyphenyl)acetamide Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4

InChI

InChI=1S/C26H31N3O4S/c1-32-19-11-12-23(33-2)21(15-19)27-25(30)18-34-24-16-29(22-10-6-5-9-20(22)24)17-26(31)28-13-7-3-4-8-14-28/h5-6,9-12,15-16H,3-4,7-8,13-14,17-18H2,1-2H3,(H,27,30)