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

Systemtic Name: 4-chloranyl-N-[1-[[4-(ethoxymethyl)phenyl]methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-[[4-(ethoxymethyl)phenyl]methylamino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-[[4-(ethoxymethyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-[[4-(ethoxymethyl)benzyl]carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C22H26ClN3O5S MolecularWeight: 479.97694

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CC=C(C=C1)CNC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOCC1=CC=C(C=C1)CNC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H26ClN3O5S/c1-3-31-14-16-6-4-15(5-7-16)13-24-22(28)19(10-11-32-2)25-21(27)17-8-9-18(23)20(12-17)26(29)30/h4-9,12,19H,3,10-11,13-14H2,1-2H3,(H,24,28)(H,25,27)