butyl 4-(furan-2-ylmethylcarbamothioylamino)benzoate

Systemtic Name: butyl 4-(furan-2-ylmethylcarbamothioylamino)benzoate Openeye Name: butyl 4-(2-furylmethylcarbamothioylamino)benzoate CAS Name: 4-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(furan-2-ylmethylcarbamothioylamino)benzoate Traditional Name: 4-(2-furfurylthiocarbamoylamino)benzoic acid butyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=CO2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=CO2

InChI

InChI=1S/C17H20N2O3S/c1-2-3-10-22-16(20)13-6-8-14(9-7-13)19-17(23)18-12-15-5-4-11-21-15/h4-9,11H,2-3,10,12H2,1H3,(H2,18,19,23)