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

Systemtic Name: 4-chloranyl-N-[1-[(3,4-dimethoxyphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-[(3,4-dimethoxyphenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-[(3,4-dimethoxyphenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-[(3,4-dimethoxyphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(methylthio)-1-(veratrylcarbamoyl)propyl]-3-nitro-benzamide Formula: C21H24ClN3O6S MolecularWeight: 481.94976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O6S/c1-30-18-7-4-13(10-19(18)31-2)12-23-21(27)16(8-9-32-3)24-20(26)14-5-6-15(22)17(11-14)25(28)29/h4-7,10-11,16H,8-9,12H2,1-3H3,(H,23,27)(H,24,26)