ethyl 4-[[(3,4,5-triethoxyphenyl)carbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(3,4,5-triethoxyphenyl)carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(3,4,5-triethoxybenzoyl)amino]carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(3,4,5-triethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3,4,5-triethoxybenzoyl)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(3,4,5-triethoxybenzoyl)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C23H29N3O6S/c1-5-29-18-13-16(14-19(30-6-2)20(18)31-7-3)21(27)25-26-23(33)24-17-11-9-15(10-12-17)22(28)32-8-4/h9-14H,5-8H2,1-4H3,(H,25,27)(H2,24,26,33)