4-[2-[[3-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[3-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[3-[2-(methylamino)-2-oxo-ethoxy]anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[3-[2-(methylamino)-2-oxoethoxy]anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[3-[2-(methylamino)-2-oxoethoxy]anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[3-[2-keto-2-(methylamino)ethoxy]anilino]ethyl]thio]-3-nitro-benzamide Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC1=CC=CC(=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)COC1=CC=CC(=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6S/c1-20-16(23)9-28-13-4-2-3-12(8-13)21-17(24)10-29-15-6-5-11(18(19)25)7-14(15)22(26)27/h2-8H,9-10H2,1H3,(H2,19,25)(H,20,23)(H,21,24)