butyl 4-[[5-(4-chlorophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[[5-(4-chlorophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]carbamothioylamino]benzoate CAS Name: 4-[[[[[5-(4-chlorophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]carbamothioylamino]benzoate Traditional Name: 4-[[5-(4-chlorophenyl)-2-furoyl]thiocarbamoylamino]benzoic acid butyl ester Formula: C23H21ClN2O4S MolecularWeight: 456.94184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H21ClN2O4S/c1-2-3-14-29-22(28)16-6-10-18(11-7-16)25-23(31)26-21(27)20-13-12-19(30-20)15-4-8-17(24)9-5-15/h4-13H,2-3,14H2,1H3,(H2,25,26,27,31)