N-[2-(azepan-1-yl)ethyl]-6-methoxy-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-6-methoxy-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-6-methoxy-3-(p-tolylsulfanyl)-1H-indole-2-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-6-methoxy-3-[(4-methylphenyl)thio]-1H-indole-2-carboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-6-methoxy-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-6-methoxy-3-(p-tolylthio)-1H-indole-2-carboxamide Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)OC)C(=O)NCCN4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)OC)C(=O)NCCN4CCCCCC4

InChI

InChI=1S/C25H31N3O2S/c1-18-7-10-20(11-8-18)31-24-21-12-9-19(30-2)17-22(21)27-23(24)25(29)26-13-16-28-14-5-3-4-6-15-28/h7-12,17,27H,3-6,13-16H2,1-2H3,(H,26,29)