methyl 4-[(3,4-dimethoxyphenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-[(3,4-dimethoxyphenyl)carbamothioylamino]benzoate Openeye Name: methyl 4-[(3,4-dimethoxyphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(3,4-dimethoxyanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3,4-dimethoxyphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(3,4-dimethoxyphenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)OC)OC

InChI

InChI=1S/C17H18N2O4S/c1-21-14-9-8-13(10-15(14)22-2)19-17(24)18-12-6-4-11(5-7-12)16(20)23-3/h4-10H,1-3H3,(H2,18,19,24)