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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2C(=C1CSC3=CC=CC=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5)OC)Br

Isomeric SMILES

CN1C2=CC(=C(C=C2C(=C1CSC3=CC=CC=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5)OC)Br

InChI

InChI=1S/C29H30BrN3O2S/c1-31-25-18-24(30)27(35-2)17-23(25)28(26(31)20-36-22-11-7-4-8-12-22)29(34)33-15-13-32(14-16-33)19-21-9-5-3-6-10-21/h3-12,17-18H,13-16,19-20H2,1-2H3