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

Systemtic Name: dimethyl 5-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C22H19ClN2O4S3 MolecularWeight: 507.04526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C22H19ClN2O4S3/c1-12-17(20(26)28-2)19(32-18(12)21(27)29-3)25-22(30)24-15-6-4-5-7-16(15)31-14-10-8-13(23)9-11-14/h4-11H,1-3H3,(H2,24,25,30)