N-[1-[[3-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[1-[[3-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[1-[[3-[2-(methylamino)-2-oxo-ethoxy]phenyl]carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: N-[1-[3-[2-(methylamino)-2-oxoethoxy]anilino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: N-[1-[3-[2-(methylamino)-2-oxoethoxy]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[1-[[3-[2-keto-2-(methylamino)ethoxy]phenyl]carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC1=CC=CC(=C1)NC(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)COC1=CC=CC(=C1)NC(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6S/c1-22-19(26)13-31-17-8-4-6-15(12-17)23-21(28)18(9-10-32-2)24-20(27)14-5-3-7-16(11-14)25(29)30/h3-8,11-12,18H,9-10,13H2,1-2H3,(H,22,26)(H,23,28)(H,24,27)