methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methylphenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-[(cyclohexylamino)-oxomethyl]-4-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-(cyclohexylcarbamoyl)-4-methyl-2-(p-toluoylamino)thiophene-3-carboxylic acid methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)NC3CCCCC3)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)NC3CCCCC3)C)C(=O)OC

InChI

InChI=1S/C22H26N2O4S/c1-13-9-11-15(12-10-13)19(25)24-21-17(22(27)28-3)14(2)18(29-21)20(26)23-16-7-5-4-6-8-16/h9-12,16H,4-8H2,1-3H3,(H,23,26)(H,24,25)