4-nitro-N-[3-oxidanylidene-3-[2-(phenylcarbamothioyl)hydrazinyl]propyl]benzamide

Systemtic Name: 4-nitro-N-[3-oxidanylidene-3-[2-(phenylcarbamothioyl)hydrazinyl]propyl]benzamide Openeye Name: 4-nitro-N-[3-oxo-3-[2-(phenylcarbamothioyl)hydrazino]propyl]benzamide CAS Name: N-[3-[[anilino(sulfanylidene)methyl]hydrazo]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: 4-nitro-N-[3-oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propyl]benzamide Traditional Name: N-[3-keto-3-[N'-(phenylthiocarbamoyl)hydrazino]propyl]-4-nitro-benzamide Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NNC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NNC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4S/c23-15(20-21-17(27)19-13-4-2-1-3-5-13)10-11-18-16(24)12-6-8-14(9-7-12)22(25)26/h1-9H,10-11H2,(H,18,24)(H,20,23)(H2,19,21,27)