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

Systemtic Name: [6-bromanyl-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [6-bromo-5-methoxy-1-methyl-2-[(phenylthio)methyl]-3-indolyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [6-bromo-5-methoxy-1-methyl-2-[(phenylthio)methyl]indol-3-yl]-(4-methylpiperazino)methanone Formula: C23H26BrN3O2S MolecularWeight: 488.44044

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=C(N(C3=CC(=C(C=C32)OC)Br)C)CSC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=C(N(C3=CC(=C(C=C32)OC)Br)C)CSC4=CC=CC=C4

InChI

InChI=1S/C23H26BrN3O2S/c1-25-9-11-27(12-10-25)23(28)22-17-13-21(29-3)18(24)14-19(17)26(2)20(22)15-30-16-7-5-4-6-8-16/h4-8,13-14H,9-12,15H2,1-3H3