N-methyl-5-methylsulfanyl-2-nitro-N-[(4-piperidin-1-ylphenyl)methyl]benzamide

Systemtic Name: N-methyl-5-methylsulfanyl-2-nitro-N-[(4-piperidin-1-ylphenyl)methyl]benzamide Openeye Name: N-methyl-5-methylsulfanyl-2-nitro-N-[[4-(1-piperidyl)phenyl]methyl]benzamide CAS Name: N-methyl-5-(methylthio)-2-nitro-N-[[4-(1-piperidinyl)phenyl]methyl]benzamide IUPAC Name: N-methyl-5-methylsulfanyl-2-nitro-N-[(4-piperidin-1-ylphenyl)methyl]benzamide Traditional Name: N-methyl-5-(methylthio)-2-nitro-N-(4-piperidinobenzyl)benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCCCC2)C(=O)C3=C(C=CC(=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCCCC2)C(=O)C3=C(C=CC(=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3S/c1-22(21(25)19-14-18(28-2)10-11-20(19)24(26)27)15-16-6-8-17(9-7-16)23-12-4-3-5-13-23/h6-11,14H,3-5,12-13,15H2,1-2H3