ethyl 4-[(3,5-diethoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(3,5-diethoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(3,5-diethoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3,5-diethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3,5-diethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3,5-diethoxybenzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC)OCC

InChI

InChI=1S/C21H24N2O5S/c1-4-26-17-11-15(12-18(13-17)27-5-2)19(24)23-21(29)22-16-9-7-14(8-10-16)20(25)28-6-3/h7-13H,4-6H2,1-3H3,(H2,22,23,24,29)