[6-methoxy-3-(4-methylphenyl)sulfanyl-1H-indol-2-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [6-methoxy-3-(4-methylphenyl)sulfanyl-1H-indol-2-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [6-methoxy-3-(p-tolylsulfanyl)-1H-indol-2-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [6-methoxy-3-[(4-methylphenyl)thio]-1H-indol-2-yl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [6-methoxy-3-(4-methylphenyl)sulfanyl-1H-indol-2-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [6-methoxy-3-(p-tolylthio)-1H-indol-2-yl]-(4-phenylpiperazino)methanone Formula: C27H27N3O2S MolecularWeight: 457.58718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)OC)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)OC)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2S/c1-19-8-11-22(12-9-19)33-26-23-13-10-21(32-2)18-24(23)28-25(26)27(31)30-16-14-29(15-17-30)20-6-4-3-5-7-20/h3-13,18,28H,14-17H2,1-2H3