N-[1-(2-but-1-en-2-ylhydrazinyl)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-4-nitro-benzamide

Systemtic Name: N-[1-(2-but-1-en-2-ylhydrazinyl)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-4-nitro-benzamide Openeye Name: N-[1-(benzylsulfanylmethyl)-2-[2-(1-methylenepropyl)hydrazino]-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-[1-(but-1-en-2-ylhydrazo)-1-oxo-3-(phenylmethylthio)propan-2-yl]-4-nitrobenzamide IUPAC Name: N-[3-benzylsulfanyl-1-(2-but-1-en-2-ylhydrazinyl)-1-oxopropan-2-yl]-4-nitrobenzamide Traditional Name: N-[1-[(benzylthio)methyl]-2-[N'-(1-ethylvinyl)hydrazino]-2-keto-ethyl]-4-nitro-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4S/c1-3-15(2)23-24-21(27)19(14-30-13-16-7-5-4-6-8-16)22-20(26)17-9-11-18(12-10-17)25(28)29/h4-12,19,23H,2-3,13-14H2,1H3,(H,22,26)(H,24,27)