N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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