methyl 4-[(2,5-dimethoxyphenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(2,5-dimethoxyphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(2,5-dimethoxyphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[(2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2,5-dimethoxyphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(2,5-dimethoxyphenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S/c1-23-13-8-9-15(24-2)14(10-13)19-18(26)20-16(21)11-4-6-12(7-5-11)17(22)25-3/h4-10H,1-3H3,(H2,19,20,21,26)