methyl 2-[(2-bromophenyl)carbamoylamino]-4-(4-cyclohexylphenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-bromophenyl)carbamoylamino]-4-(4-cyclohexylphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-bromophenyl)carbamoylamino]-4-(4-cyclohexylphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(2-bromoanilino)-oxomethyl]amino]-4-(4-cyclohexylphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-bromophenyl)carbamoylamino]-4-(4-cyclohexylphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[(2-bromophenyl)carbamoylamino]-4-(4-cyclohexylphenyl)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C26H27BrN2O3S MolecularWeight: 527.47318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)NC2=CC=CC=C2Br)C(=O)OC)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)NC2=CC=CC=C2Br)C(=O)OC)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C26H27BrN2O3S/c1-16-22(19-14-12-18(13-15-19)17-8-4-3-5-9-17)23(25(30)32-2)24(33-16)29-26(31)28-21-11-7-6-10-20(21)27/h6-7,10-15,17H,3-5,8-9H2,1-2H3,(H2,28,29,31)