5-bromanyl-N-[[3-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[3-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-5-bromo-furan-2-carboxamide CAS Name: 5-bromo-N-[[3-[[methyl-(phenylmethyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-5-bromofuran-2-carboxamide Traditional Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]thiocarbamoyl]-5-bromo-2-furamide Formula: C21H18BrN3O3S MolecularWeight: 472.35492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C21H18BrN3O3S/c1-25(13-14-6-3-2-4-7-14)20(27)15-8-5-9-16(12-15)23-21(29)24-19(26)17-10-11-18(22)28-17/h2-12H,13H2,1H3,(H2,23,24,26,29)