butyl 4-(2-phenylethanoylcarbamothioylamino)benzoate

Systemtic Name: butyl 4-(2-phenylethanoylcarbamothioylamino)benzoate Openeye Name: butyl 4-[(2-phenylacetyl)carbamothioylamino]benzoate CAS Name: 4-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2-phenylacetyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-phenylacetyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O3S/c1-2-3-13-25-19(24)16-9-11-17(12-10-16)21-20(26)22-18(23)14-15-7-5-4-6-8-15/h4-12H,2-3,13-14H2,1H3,(H2,21,22,23,26)