ethyl 4-[(3-propoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(3-propoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(3-propoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(3-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-propoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-propoxybenzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C20H22N2O4S/c1-3-12-26-17-7-5-6-15(13-17)18(23)22-20(27)21-16-10-8-14(9-11-16)19(24)25-4-2/h5-11,13H,3-4,12H2,1-2H3,(H2,21,22,23,27)