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

Systemtic Name: 6-methoxy-3-(4-methylphenyl)sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]-1H-indole-2-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-6-methoxy-3-(p-tolylsulfanyl)-1H-indole-2-carboxamide CAS Name: 6-methoxy-3-[(4-methylphenyl)thio]-N-[1-(phenylmethyl)-4-piperidinyl]-1H-indole-2-carboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-6-methoxy-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-6-methoxy-3-(p-tolylthio)-1H-indole-2-carboxamide Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)OC)C(=O)NC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)OC)C(=O)NC4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H31N3O2S/c1-20-8-11-24(12-9-20)35-28-25-13-10-23(34-2)18-26(25)31-27(28)29(33)30-22-14-16-32(17-15-22)19-21-6-4-3-5-7-21/h3-13,18,22,31H,14-17,19H2,1-2H3,(H,30,33)