2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[1-[(2,5-dimethylphenyl)methyl]-3-indolyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[1-(2,5-dimethylbenzyl)indol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C29H31N3OS MolecularWeight: 469.64094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3OS/c1-22-12-13-23(2)24(18-22)19-32-20-28(26-10-6-7-11-27(26)32)34-21-29(33)31-16-14-30(15-17-31)25-8-4-3-5-9-25/h3-13,18,20H,14-17,19,21H2,1-2H3