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

Systemtic Name: methyl 2-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[2-[(4-chlorophenyl)thio]anilino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-chlorophenyl)thio]phenyl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H17ClN2O2S3 MolecularWeight: 449.00918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C20H17ClN2O2S3/c1-12-11-15(19(24)25-2)18(27-12)23-20(26)22-16-5-3-4-6-17(16)28-14-9-7-13(21)8-10-14/h3-11H,1-2H3,(H2,22,23,26)