3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-[4-[(1-methylpyrazol-4-yl)carbonylamino]phenyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-[4-[(1-methylpyrazol-4-yl)carbonylamino]phenyl]thiophene-2-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-[4-[(1-methylpyrazole-4-carbonyl)amino]phenyl]thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-[4-[[(1-methyl-4-pyrazolyl)-oxomethyl]amino]phenyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-[4-[(1-methylpyrazole-4-carbonyl)amino]phenyl]thiophene-2-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-[4-[(1-methylpyrazole-4-carbonyl)amino]phenyl]-2-thenoic acid Formula: C27H32N4O4S MolecularWeight: 508.63238

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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=CN(N=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=CN(N=C4)C)C(=O)O)C(C)C

InChI

InChI=1S/C27H32N4O4S/c1-16(2)31(26(33)19-7-5-17(3)6-8-19)22-13-23(36-24(22)27(34)35)18-9-11-21(12-10-18)29-25(32)20-14-28-30(4)15-20/h9-17,19H,5-8H2,1-4H3,(H,29,32)(H,34,35)