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

Systemtic Name: 1,3,4-thiadiazol-2-yl 4-(4-methylcyclohexyl)-3-piperazin-1-yl-2-pyridin-3-yl-benzoate Openeye Name: 1,3,4-thiadiazol-2-yl 4-(4-methylcyclohexyl)-3-piperazin-1-yl-2-(3-pyridyl)benzoate CAS Name: 4-(4-methylcyclohexyl)-3-(1-piperazinyl)-2-(3-pyridinyl)benzoic acid 1,3,4-thiadiazol-2-yl ester IUPAC Name: 1,3,4-thiadiazol-2-yl 4-(4-methylcyclohexyl)-3-piperazin-1-yl-2-pyridin-3-ylbenzoate Traditional Name: 4-(4-methylcyclohexyl)-3-piperazino-2-(3-pyridyl)benzoic acid 1,3,4-thiadiazol-2-yl ester Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O2S/c1-17-4-6-18(7-5-17)20-8-9-21(24(31)32-25-29-28-16-33-25)22(19-3-2-10-27-15-19)23(20)30-13-11-26-12-14-30/h2-3,8-10,15-18,26H,4-7,11-14H2,1H3