[6-bromanyl-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indol-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone

Systemtic Name: [6-bromanyl-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indol-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone Openeye Name: [6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indol-3-yl]-[4-(o-tolyl)piperazin-1-yl]methanone CAS Name: [6-bromo-5-methoxy-1-methyl-2-[(phenylthio)methyl]-3-indolyl]-[4-(2-methylphenyl)-1-piperazinyl]methanone IUPAC Name: [6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indol-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone Traditional Name: [6-bromo-5-methoxy-1-methyl-2-[(phenylthio)methyl]indol-3-yl]-[4-(o-tolyl)piperazino]methanone Formula: C29H30BrN3O2S MolecularWeight: 564.5364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(N(C4=CC(=C(C=C43)OC)Br)C)CSC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(N(C4=CC(=C(C=C43)OC)Br)C)CSC5=CC=CC=C5

InChI

InChI=1S/C29H30BrN3O2S/c1-20-9-7-8-12-24(20)32-13-15-33(16-14-32)29(34)28-22-17-27(35-3)23(30)18-25(22)31(2)26(28)19-36-21-10-5-4-6-11-21/h4-12,17-18H,13-16,19H2,1-3H3