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

Systemtic Name: 4-nitro-N-[1-oxidanylidene-3-(phenylmethylsulfanyl)-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]benzamide Openeye Name: N-[1-(benzylsulfanylmethyl)-2-(2-isopropylidenehydrazino)-2-oxo-ethyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[1-oxo-3-(phenylmethylthio)-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]benzamide IUPAC Name: N-[3-benzylsulfanyl-1-oxo-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]-4-nitrobenzamide Traditional Name: N-[1-[(benzylthio)methyl]-2-(N'-isopropylidenehydrazino)-2-keto-ethyl]-4-nitro-benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S/c1-14(2)22-23-20(26)18(13-29-12-15-6-4-3-5-7-15)21-19(25)16-8-10-17(11-9-16)24(27)28/h3-11,18H,12-13H2,1-2H3,(H,21,25)(H,23,26)