N-[(4-methylsulfanylphenyl)methyl]-5-nitro-2-[(4-oxidanylcyclohexyl)amino]benzamide

Systemtic Name: N-[(4-methylsulfanylphenyl)methyl]-5-nitro-2-[(4-oxidanylcyclohexyl)amino]benzamide Openeye Name: 2-[(4-hydroxycyclohexyl)amino]-N-[(4-methylsulfanylphenyl)methyl]-5-nitro-benzamide CAS Name: 2-[(4-hydroxycyclohexyl)amino]-N-[[4-(methylthio)phenyl]methyl]-5-nitrobenzamide IUPAC Name: 2-[(4-hydroxycyclohexyl)amino]-N-[(4-methylsulfanylphenyl)methyl]-5-nitrobenzamide Traditional Name: 2-[(4-hydroxycyclohexyl)amino]-N-[4-(methylthio)benzyl]-5-nitro-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)O

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)O

InChI

InChI=1S/C21H25N3O4S/c1-29-18-9-2-14(3-10-18)13-22-21(26)19-12-16(24(27)28)6-11-20(19)23-15-4-7-17(25)8-5-15/h2-3,6,9-12,15,17,23,25H,4-5,7-8,13H2,1H3,(H,22,26)