3-[2-[5-[(4-butylcyclohexyl)carbonylamino]-1,3,4-thiadiazol-2-yl]phenyl]benzoate

Systemtic Name: 3-[2-[5-[(4-butylcyclohexyl)carbonylamino]-1,3,4-thiadiazol-2-yl]phenyl]benzoate Openeye Name: 3-[2-[5-[(4-butylcyclohexanecarbonyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzoate CAS Name: 3-[2-[5-[[(4-butylcyclohexyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]phenyl]benzoate IUPAC Name: 3-[2-[5-[(4-butylcyclohexanecarbonyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzoate Traditional Name: 3-[2-[5-[(4-butylcyclohexanecarbonyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzoate Formula: C26H28N3O3S- MolecularWeight: 462.58382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NC2=NN=C(S2)C3=CC=CC=C3C4=CC(=CC=C4)C(=O)[O-]

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NC2=NN=C(S2)C3=CC=CC=C3C4=CC(=CC=C4)C(=O)[O-]

InChI

InChI=1S/C26H29N3O3S/c1-2-3-7-17-12-14-18(15-13-17)23(30)27-26-29-28-24(33-26)22-11-5-4-10-21(22)19-8-6-9-20(16-19)25(31)32/h4-6,8-11,16-18H,2-3,7,12-15H2,1H3,(H,31,32)(H,27,29,30)/p-1