N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[4-[2-(methylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[4-[2-keto-2-(methylamino)ethyl]phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CNC(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4S/c1-18-15(22)10-11-6-8-12(9-7-11)19-17(26)20-16(23)13-4-2-3-5-14(13)21(24)25/h2-9H,10H2,1H3,(H,18,22)(H2,19,20,23,26)