methyl 4-[[(2-propoxyphenyl)carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[(2-propoxyphenyl)carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[(2-propoxybenzoyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[[[oxo-(2-propoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-propoxybenzoyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[(2-propoxybenzoyl)amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H21N3O5S/c1-3-12-28-16-7-5-4-6-15(16)18(25)22-23-20(29)21-17(24)13-8-10-14(11-9-13)19(26)27-2/h4-11H,3,12H2,1-2H3,(H,22,25)(H2,21,23,24,29)