N-[2-[2-methyl-2-[(phenylmethyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]-3-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O4S/c1-22(18(28)20-11-13-6-3-2-4-7-13)21-16(24)12-19-17(25)14-8-5-9-15(10-14)23(26)27/h2-10H,11-12H2,1H3,(H,19,25)(H,20,28)(H,21,24)