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

Systemtic Name: ethyl 2-[1-(4-methylphenyl)propylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[1-(p-tolyl)propylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[1-(4-methylphenyl)propylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-methylphenyl)propylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 5-phenyl-2-[1-(p-tolyl)propylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C24H26N2O2S2 MolecularWeight: 438.60544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O2S2/c1-4-20(17-13-11-16(3)12-14-17)25-24(29)26-22-19(23(27)28-5-2)15-21(30-22)18-9-7-6-8-10-18/h6-15,20H,4-5H2,1-3H3,(H2,25,26,29)