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

Systemtic Name: methyl 4-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[(4-allyloxybenzoyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[[[oxo-(4-prop-2-enoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-prop-2-enoxybenzoyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[(4-allyloxybenzoyl)amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S/c1-3-12-28-16-10-8-14(9-11-16)18(25)22-23-20(29)21-17(24)13-4-6-15(7-5-13)19(26)27-2/h3-11H,1,12H2,2H3,(H,22,25)(H2,21,23,24,29)