[4-(cyclohexylmethyl)-6-phenyl-7-piperazin-1-yl-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate

Systemtic Name: [4-(cyclohexylmethyl)-6-phenyl-7-piperazin-1-yl-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate Openeye Name: [4-(cyclohexylmethyl)-6-phenyl-7-piperazin-1-yl-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate CAS Name: benzoic acid [4-(cyclohexylmethyl)-6-phenyl-7-(1-piperazinyl)-5-(1,3,4-thiadiazol-2-yl)-1-benzotriazolyl] ester IUPAC Name: [4-(cyclohexylmethyl)-6-phenyl-7-piperazin-1-yl-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate Traditional Name: benzoic acid [4-(cyclohexylmethyl)-6-phenyl-7-piperazino-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] ester Formula: C32H33N7O2S MolecularWeight: 579.71512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2=C3C(=C(C(=C2C4=NN=CS4)C5=CC=CC=C5)N6CCNCC6)N(N=N3)OC(=O)C7=CC=CC=C7

Isomeric SMILES

C1CCC(CC1)CC2=C3C(=C(C(=C2C4=NN=CS4)C5=CC=CC=C5)N6CCNCC6)N(N=N3)OC(=O)C7=CC=CC=C7

InChI

InChI=1S/C32H33N7O2S/c40-32(24-14-8-3-9-15-24)41-39-30-28(35-37-39)25(20-22-10-4-1-5-11-22)27(31-36-34-21-42-31)26(23-12-6-2-7-13-23)29(30)38-18-16-33-17-19-38/h2-3,6-9,12-15,21-22,33H,1,4-5,10-11,16-20H2