ethyl 5-methyl-2-[1-(4-methylphenyl)propylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[1-(4-methylphenyl)propylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[1-(p-tolyl)propylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[1-(4-methylphenyl)propylamino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[1-(4-methylphenyl)propylcarbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[1-(p-tolyl)propylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C25H28N2O2S2 MolecularWeight: 452.63202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC(C1=CC=C(C=C1)C)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C25H28N2O2S2/c1-5-20(18-14-12-16(3)13-15-18)26-25(30)27-23-22(24(28)29-6-2)21(17(4)31-23)19-10-8-7-9-11-19/h7-15,20H,5-6H2,1-4H3,(H2,26,27,30)