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

Systemtic Name: N-[4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]phenyl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-[4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-[4-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-[(1-phenyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-[4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-[4-(4-m-toluoylpiperazino)phenyl]-2-[(1-phenyltetrazol-5-yl)thio]acetamide Formula: C27H27N7O2S MolecularWeight: 513.61398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C27H27N7O2S/c1-20-6-5-7-21(18-20)26(36)33-16-14-32(15-17-33)23-12-10-22(11-13-23)28-25(35)19-37-27-29-30-31-34(27)24-8-3-2-4-9-24/h2-13,18H,14-17,19H2,1H3,(H,28,35)