N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-2-iodanyl-benzamide

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-2-iodo-benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-2-iodobenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-2-iodo-benzamide Formula: C18H16IN3OS MolecularWeight: 449.30861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C2=CC=CC=C2I

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C18H16IN3OS/c19-16-10-5-4-9-15(16)17(23)21-18(24)22(12-6-11-20)13-14-7-2-1-3-8-14/h1-5,7-10H,6,12-13H2,(H,21,23,24)