5-(cyclohexen-1-yl)-3-[(4-methylcyclohexyl)carbonyl-(1-pyrimidin-5-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid

Systemtic Name: 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexyl)carbonyl-(1-pyrimidin-5-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid Openeye Name: 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-5-yl-4-piperidyl)amino]thiophene-2-carboxylic acid CAS Name: 5-(1-cyclohexenyl)-3-[[(4-methylcyclohexyl)-oxomethyl]-[1-(5-pyrimidinyl)-4-piperidinyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(1-pyrimidin-5-ylpiperidin-4-yl)amino]thiophene-2-carboxylic acid Traditional Name: 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-[1-(5-pyrimidyl)-4-piperidyl]amino]-2-thenoic acid Formula: C28H36N4O3S MolecularWeight: 508.67544

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCN(CC2)C3=CN=CN=C3)C4=C(SC(=C4)C5=CCCCC5)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCN(CC2)C3=CN=CN=C3)C4=C(SC(=C4)C5=CCCCC5)C(=O)O

InChI

InChI=1S/C28H36N4O3S/c1-19-7-9-21(10-8-19)27(33)32(22-11-13-31(14-12-22)23-16-29-18-30-17-23)24-15-25(36-26(24)28(34)35)20-5-3-2-4-6-20/h5,15-19,21-22H,2-4,6-14H2,1H3,(H,34,35)