methyl 4-[(4-prop-2-enoxyphenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(4-prop-2-enoxyphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(4-allyloxyphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[(4-prop-2-enoxyanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-prop-2-enoxyphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(4-allyloxyphenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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