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

Systemtic Name: 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[1-[(4-chlorophenyl)methyl]-3-indolyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[1-(4-chlorobenzyl)indol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C27H26ClN3OS MolecularWeight: 476.03284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H26ClN3OS/c28-22-12-10-21(11-13-22)18-31-19-26(24-8-4-5-9-25(24)31)33-20-27(32)30-16-14-29(15-17-30)23-6-2-1-3-7-23/h1-13,19H,14-18,20H2