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

Systemtic Name: 4-nitro-N-[3-oxidanylidene-3-[2-[(phenylmethyl)carbamothioyl]hydrazinyl]propyl]benzamide Openeye Name: N-[3-[2-(benzylcarbamothioyl)hydrazino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[3-oxo-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazo]propyl]benzamide IUPAC Name: N-[3-[2-(benzylcarbamothioyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[N'-(benzylthiocarbamoyl)hydrazino]-3-keto-propyl]-4-nitro-benzamide Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O4S/c24-16(21-22-18(28)20-12-13-4-2-1-3-5-13)10-11-19-17(25)14-6-8-15(9-7-14)23(26)27/h1-9H,10-12H2,(H,19,25)(H,21,24)(H2,20,22,28)