1,3,4-thiadiazol-2-yl 2-phenyl-4-(4-phenylcyclohexyl)-3-piperazin-1-yl-benzoate

Systemtic Name: 1,3,4-thiadiazol-2-yl 2-phenyl-4-(4-phenylcyclohexyl)-3-piperazin-1-yl-benzoate Openeye Name: 1,3,4-thiadiazol-2-yl 2-phenyl-4-(4-phenylcyclohexyl)-3-piperazin-1-yl-benzoate CAS Name: 2-phenyl-4-(4-phenylcyclohexyl)-3-(1-piperazinyl)benzoic acid 1,3,4-thiadiazol-2-yl ester IUPAC Name: 1,3,4-thiadiazol-2-yl 2-phenyl-4-(4-phenylcyclohexyl)-3-piperazin-1-ylbenzoate Traditional Name: 2-phenyl-4-(4-phenylcyclohexyl)-3-piperazino-benzoic acid 1,3,4-thiadiazol-2-yl ester Formula: C31H32N4O2S MolecularWeight: 524.67638

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)C3=C(C(=C(C=C3)C(=O)OC4=NN=CS4)C5=CC=CC=C5)N6CCNCC6

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)C3=C(C(=C(C=C3)C(=O)OC4=NN=CS4)C5=CC=CC=C5)N6CCNCC6

InChI

InChI=1S/C31H32N4O2S/c36-30(37-31-34-33-21-38-31)27-16-15-26(24-13-11-23(12-14-24)22-7-3-1-4-8-22)29(35-19-17-32-18-20-35)28(27)25-9-5-2-6-10-25/h1-10,15-16,21,23-24,32H,11-14,17-20H2