N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-3-nitro-benzamide Formula: C18H16N4O3S MolecularWeight: 368.40964

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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=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O3S/c19-10-5-11-21(13-14-6-2-1-3-7-14)18(26)20-17(23)15-8-4-9-16(12-15)22(24)25/h1-4,6-9,12H,5,11,13H2,(H,20,23,26)