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

Systemtic Name: 2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[1-(o-tolylmethyl)indol-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[1-[(2-methylphenyl)methyl]-3-indolyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[1-(2-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=C1CN2C=C(C3=CC=CC=C32)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C3=CC=CC=C32)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

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