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

Systemtic Name: 1,3,4-thiadiazol-2-yl 4-(4-methylcyclohexyl)-2-phenyl-3-piperazin-1-yl-benzoate Openeye Name: 1,3,4-thiadiazol-2-yl 4-(4-methylcyclohexyl)-2-phenyl-3-piperazin-1-yl-benzoate CAS Name: 4-(4-methylcyclohexyl)-2-phenyl-3-(1-piperazinyl)benzoic acid 1,3,4-thiadiazol-2-yl ester IUPAC Name: 1,3,4-thiadiazol-2-yl 4-(4-methylcyclohexyl)-2-phenyl-3-piperazin-1-ylbenzoate Traditional Name: 4-(4-methylcyclohexyl)-2-phenyl-3-piperazino-benzoic acid 1,3,4-thiadiazol-2-yl ester Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C2=C(C(=C(C=C2)C(=O)OC3=NN=CS3)C4=CC=CC=C4)N5CCNCC5

Isomeric SMILES

CC1CCC(CC1)C2=C(C(=C(C=C2)C(=O)OC3=NN=CS3)C4=CC=CC=C4)N5CCNCC5

InChI

InChI=1S/C26H30N4O2S/c1-18-7-9-19(10-8-18)21-11-12-22(25(31)32-26-29-28-17-33-26)23(20-5-3-2-4-6-20)24(21)30-15-13-27-14-16-30/h2-6,11-12,17-19,27H,7-10,13-16H2,1H3