methyl 3-[(3-prop-2-enoxyphenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(3-prop-2-enoxyphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(3-allyloxyphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[(3-prop-2-enoxyanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-prop-2-enoxyphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(3-allyloxyphenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4S/c1-3-10-25-16-9-5-8-15(12-16)20-19(26)21-17(22)13-6-4-7-14(11-13)18(23)24-2/h3-9,11-12H,1,10H2,2H3,(H2,20,21,22,26)