ethyl 4-(4-chlorophenyl)-2-(dimethylcarbamoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-(dimethylcarbamoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-(dimethylcarbamoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[[[dimethylamino(oxo)methyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-(dimethylcarbamoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-(dimethylcarbamoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C17H18ClN3O3S2 MolecularWeight: 411.92612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=S)NC(=O)N(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=S)NC(=O)N(C)C

InChI

InChI=1S/C17H18ClN3O3S2/c1-4-24-15(22)13-12(10-5-7-11(18)8-6-10)9-26-14(13)19-16(25)20-17(23)21(2)3/h5-9H,4H2,1-3H3,(H2,19,20,23,25)