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

Systemtic Name: 2-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]sulfanyl-N-(2-methylphenyl)ethanamide Openeye Name: 2-[1-[2-(azepan-1-yl)-2-oxo-ethyl]indol-3-yl]sulfanyl-N-(o-tolyl)acetamide CAS Name: 2-[[1-[2-(1-azepanyl)-2-oxoethyl]-3-indolyl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-(2-methylphenyl)acetamide Traditional Name: 2-[[1-[2-(azepan-1-yl)-2-keto-ethyl]indol-3-yl]thio]-N-(o-tolyl)acetamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O2S/c1-19-10-4-6-12-21(19)26-24(29)18-31-23-16-28(22-13-7-5-11-20(22)23)17-25(30)27-14-8-2-3-9-15-27/h4-7,10-13,16H,2-3,8-9,14-15,17-18H2,1H3,(H,26,29)