2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[1-(m-tolylmethyl)indol-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[1-[(3-methylphenyl)methyl]-3-indolyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[1-(3-methylbenzyl)indol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C28H29N3OS MolecularWeight: 455.61436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3OS/c1-22-8-7-9-23(18-22)19-31-20-27(25-12-5-6-13-26(25)31)33-21-28(32)30-16-14-29(15-17-30)24-10-3-2-4-11-24/h2-13,18,20H,14-17,19,21H2,1H3