methyl 3-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C20H21N3O7S/c1-27-14-9-13(10-15(28-2)16(14)29-3)18(25)22-23-20(31)21-17(24)11-6-5-7-12(8-11)19(26)30-4/h5-10H,1-4H3,(H,22,25)(H2,21,23,24,31)