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

Systemtic Name: 4-chloranyl-N-[1-[(4-ethoxy-3-methoxy-phenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-[(4-ethoxy-3-methoxy-phenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-[(4-ethoxy-3-methoxyphenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-[(4-ethoxy-3-methoxyphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-[(4-ethoxy-3-methoxy-benzyl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C22H26ClN3O6S MolecularWeight: 495.97634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C22H26ClN3O6S/c1-4-32-19-8-5-14(11-20(19)31-2)13-24-22(28)17(9-10-33-3)25-21(27)15-6-7-16(23)18(12-15)26(29)30/h5-8,11-12,17H,4,9-10,13H2,1-3H3,(H,24,28)(H,25,27)