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

Systemtic Name: N-[4-[4-(3-bromophenyl)carbonylpiperazin-1-yl]phenyl]-2-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide Openeye Name: N-[4-[4-(3-bromobenzoyl)piperazin-1-yl]phenyl]-2-[1-(p-tolyl)tetrazol-5-yl]sulfanyl-acetamide CAS Name: N-[4-[4-[(3-bromophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-[[1-(4-methylphenyl)-5-tetrazolyl]thio]acetamide IUPAC Name: N-[4-[4-(3-bromobenzoyl)piperazin-1-yl]phenyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide Traditional Name: N-[4-[4-(3-bromobenzoyl)piperazino]phenyl]-2-[[1-(p-tolyl)tetrazol-5-yl]thio]acetamide Formula: C27H26BrN7O2S MolecularWeight: 592.51004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C27H26BrN7O2S/c1-19-5-9-24(10-6-19)35-27(30-31-32-35)38-18-25(36)29-22-7-11-23(12-8-22)33-13-15-34(16-14-33)26(37)20-3-2-4-21(28)17-20/h2-12,17H,13-16,18H2,1H3,(H,29,36)