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

Systemtic Name: N-[4-[4-(4-bromophenyl)carbonylpiperazin-1-yl]phenyl]-2-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide Openeye Name: N-[4-[4-(4-bromobenzoyl)piperazin-1-yl]phenyl]-2-[1-(p-tolyl)tetrazol-5-yl]sulfanyl-acetamide CAS Name: N-[4-[4-[(4-bromophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-[[1-(4-methylphenyl)-5-tetrazolyl]thio]acetamide IUPAC Name: N-[4-[4-(4-bromobenzoyl)piperazin-1-yl]phenyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide Traditional Name: N-[4-[4-(4-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=C(C=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=C(C=C5)Br

InChI

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