diethyl 5-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[2-[(4-chlorophenyl)thio]anilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(4-chlorophenyl)thio]phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H23ClN2O4S3 MolecularWeight: 535.09842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H23ClN2O4S3/c1-4-30-22(28)19-14(3)20(23(29)31-5-2)34-21(19)27-24(32)26-17-8-6-7-9-18(17)33-16-12-10-15(25)11-13-16/h6-13H,4-5H2,1-3H3,(H2,26,27,32)