ethyl 4-(4-chlorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[(4-methoxyphenyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H21ClN2O3S2 MolecularWeight: 460.99674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H21ClN2O3S2/c1-4-28-21(26)19-18(14-5-7-15(23)8-6-14)13(2)30-20(19)25-22(29)24-16-9-11-17(27-3)12-10-16/h5-12H,4H2,1-3H3,(H2,24,25,29)