5-bromanyl-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]furan-2-carboxamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-5-bromo-furan-2-carboxamide CAS Name: 5-bromo-N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-5-bromofuran-2-carboxamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-5-bromo-2-furamide Formula: C16H14BrN3O2S MolecularWeight: 392.27026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C16H14BrN3O2S/c17-14-8-7-13(22-14)15(21)19-16(23)20(10-4-9-18)11-12-5-2-1-3-6-12/h1-3,5-8H,4,10-11H2,(H,19,21,23)