N-[4-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]phenyl]-2-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide

Systemtic Name: N-[4-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]phenyl]-2-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide Openeye Name: N-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]-2-[1-(o-tolyl)tetrazol-5-yl]sulfanyl-acetamide CAS Name: N-[4-[4-[(3-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-[[1-(2-methylphenyl)-5-tetrazolyl]thio]acetamide IUPAC Name: N-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide Traditional Name: N-[4-[4-(3-chlorobenzoyl)piperazino]phenyl]-2-[[1-(o-tolyl)tetrazol-5-yl]thio]acetamide Formula: C27H26ClN7O2S MolecularWeight: 548.05904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H26ClN7O2S/c1-19-5-2-3-8-24(19)35-27(30-31-32-35)38-18-25(36)29-22-9-11-23(12-10-22)33-13-15-34(16-14-33)26(37)20-6-4-7-21(28)17-20/h2-12,17H,13-16,18H2,1H3,(H,29,36)