N-[4-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-2-methoxy-phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-2-methoxy-phenyl]furan-2-carboxamide Openeye Name: N-[4-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-2-methoxy-phenyl]furan-2-carboxamide CAS Name: N-[4-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-methoxyphenyl]-2-furancarboxamide IUPAC Name: N-[4-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-2-methoxyphenyl]furan-2-carboxamide Traditional Name: N-[4-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]-2-methoxy-phenyl]-2-furamide Formula: C21H18ClN3O4S MolecularWeight: 443.90332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CO3

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H18ClN3O4S/c1-28-18-12-15(8-9-16(18)24-20(27)17-3-2-10-29-17)23-21(30)25-19(26)11-13-4-6-14(22)7-5-13/h2-10,12H,11H2,1H3,(H,24,27)(H2,23,25,26,30)