3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-[4-[(4-methylpyridin-3-yl)carbonylamino]phenyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-[4-[(4-methylpyridin-3-yl)carbonylamino]phenyl]thiophene-2-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-[4-[(4-methylpyridine-3-carbonyl)amino]phenyl]thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-[4-[[(4-methyl-3-pyridinyl)-oxomethyl]amino]phenyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-[4-[(4-methylpyridine-3-carbonyl)amino]phenyl]thiophene-2-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-[4-[(4-methylnicotinoyl)amino]phenyl]-2-thenoic acid Formula: C29H33N3O4S MolecularWeight: 519.65502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)NC(=O)C4=C(C=CN=C4)C)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)NC(=O)C4=C(C=CN=C4)C)C(=O)O)C(C)C

InChI

InChI=1S/C29H33N3O4S/c1-17(2)32(28(34)21-7-5-18(3)6-8-21)24-15-25(37-26(24)29(35)36)20-9-11-22(12-10-20)31-27(33)23-16-30-14-13-19(23)4/h9-18,21H,5-8H2,1-4H3,(H,31,33)(H,35,36)