5-(4-cyanophenyl)-3-[(4-methylcyclohexyl)carbonyl-(1-methylpiperidin-4-yl)amino]thiophene-2-carboxylic acid

Systemtic Name: 5-(4-cyanophenyl)-3-[(4-methylcyclohexyl)carbonyl-(1-methylpiperidin-4-yl)amino]thiophene-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-3-[(4-methylcyclohexanecarbonyl)-(1-methyl-4-piperidyl)amino]thiophene-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-3-[[(4-methylcyclohexyl)-oxomethyl]-(1-methyl-4-piperidinyl)amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-3-[(4-methylcyclohexanecarbonyl)-(1-methylpiperidin-4-yl)amino]thiophene-2-carboxylic acid Traditional Name: 5-(4-cyanophenyl)-3-[(4-methylcyclohexanecarbonyl)-(1-methyl-4-piperidyl)amino]-2-thenoic acid Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCN(CC2)C)C3=C(SC(=C3)C4=CC=C(C=C4)C#N)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCN(CC2)C)C3=C(SC(=C3)C4=CC=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C26H31N3O3S/c1-17-3-7-20(8-4-17)25(30)29(21-11-13-28(2)14-12-21)22-15-23(33-24(22)26(31)32)19-9-5-18(16-27)6-10-19/h5-6,9-10,15,17,20-21H,3-4,7-8,11-14H2,1-2H3,(H,31,32)