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

Systemtic Name: methyl 4-[(3-propoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3-propoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(3-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-propoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-propoxybenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-3-11-25-16-6-4-5-14(12-16)17(22)21-19(26)20-15-9-7-13(8-10-15)18(23)24-2/h4-10,12H,3,11H2,1-2H3,(H2,20,21,22,26)