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

Systemtic Name: N-[4-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-2-methyl-phenyl]furan-2-carboxamide Openeye Name: N-[4-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-2-methyl-phenyl]furan-2-carboxamide CAS Name: N-[4-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-furancarboxamide IUPAC Name: N-[4-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-2-methylphenyl]furan-2-carboxamide Traditional Name: N-[4-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]-2-methyl-phenyl]-2-furamide Formula: C21H18ClN3O3S MolecularWeight: 427.90392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H18ClN3O3S/c1-13-11-16(8-9-17(13)24-20(27)18-3-2-10-28-18)23-21(29)25-19(26)12-14-4-6-15(22)7-5-14/h2-11H,12H2,1H3,(H,24,27)(H2,23,25,26,29)