methyl 3-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[[(3,4-dimethoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-(veratrylthiocarbamoylamino)thiophene-2-carboxylic acid methyl ester Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)NC2=C(SC=C2)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)NC2=C(SC=C2)C(=O)OC)OC

InChI

InChI=1S/C16H18N2O4S2/c1-20-12-5-4-10(8-13(12)21-2)9-17-16(23)18-11-6-7-24-14(11)15(19)22-3/h4-8H,9H2,1-3H3,(H2,17,18,23)