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

Systemtic Name: methyl 3-[(4-chlorophenyl)carbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-chlorophenyl)carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-chlorophenyl)carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-[(4-chlorophenyl)thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C13H11ClN2O2S2 MolecularWeight: 326.82164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)NC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H11ClN2O2S2/c1-18-12(17)11-10(6-7-20-11)16-13(19)15-9-4-2-8(14)3-5-9/h2-7H,1H3,(H2,15,16,19)