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

Systemtic Name: 2-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-[2-(4-cyclohexylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-cyclohexylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[[1-(4-bromophenyl)-5-tetrazolyl]thio]-N-[2-(4-cyclohexyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-cyclohexylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[[1-(4-bromophenyl)tetrazol-5-yl]thio]-N-[2-(4-cyclohexylpiperazino)phenyl]acetamide Formula: C25H30BrN7OS MolecularWeight: 556.521

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3=CC=CC=C3NC(=O)CSC4=NN=NN4C5=CC=C(C=C5)Br

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3=CC=CC=C3NC(=O)CSC4=NN=NN4C5=CC=C(C=C5)Br

InChI

InChI=1S/C25H30BrN7OS/c26-19-10-12-21(13-11-19)33-25(28-29-30-33)35-18-24(34)27-22-8-4-5-9-23(22)32-16-14-31(15-17-32)20-6-2-1-3-7-20/h4-5,8-13,20H,1-3,6-7,14-18H2,(H,27,34)