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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-[4-(thiophen-3-ylcarbonylamino)phenyl]thiophene-2-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-[4-(thiophene-3-carbonylamino)phenyl]thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-[4-[[oxo(3-thiophenyl)methyl]amino]phenyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-[4-(thiophene-3-carbonylamino)phenyl]thiophene-2-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-[4-(3-thenoylamino)phenyl]-2-thenoic acid Formula: C27H30N2O4S2 MolecularWeight: 510.6681

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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=CSC=C4)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=CSC=C4)C(=O)O)C(C)C

InChI

InChI=1S/C27H30N2O4S2/c1-16(2)29(26(31)19-6-4-17(3)5-7-19)22-14-23(35-24(22)27(32)33)18-8-10-21(11-9-18)28-25(30)20-12-13-34-15-20/h8-17,19H,4-7H2,1-3H3,(H,28,30)(H,32,33)