N-[1-[2-(2-methylprop-1-enyl)hydrazinyl]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-4-nitro-benzamide

Systemtic Name: N-[1-[2-(2-methylprop-1-enyl)hydrazinyl]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-4-nitro-benzamide Openeye Name: N-[1-(benzylsulfanylmethyl)-2-[2-(2-methylprop-1-enyl)hydrazino]-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-[1-(2-methylprop-1-enylhydrazo)-1-oxo-3-(phenylmethylthio)propan-2-yl]-4-nitrobenzamide IUPAC Name: N-[3-benzylsulfanyl-1-[2-(2-methylprop-1-enyl)hydrazinyl]-1-oxopropan-2-yl]-4-nitrobenzamide Traditional Name: N-[1-[(benzylthio)methyl]-2-keto-2-[N'-(2-methylprop-1-enyl)hydrazino]ethyl]-4-nitro-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CNNC(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC(=CNNC(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C21H24N4O4S/c1-15(2)12-22-24-21(27)19(14-30-13-16-6-4-3-5-7-16)23-20(26)17-8-10-18(11-9-17)25(28)29/h3-12,19,22H,13-14H2,1-2H3,(H,23,26)(H,24,27)