N-methyl-4-methylsulfanyl-3-nitro-N-[(2-piperidin-1-ylphenyl)methyl]benzamide

Systemtic Name: N-methyl-4-methylsulfanyl-3-nitro-N-[(2-piperidin-1-ylphenyl)methyl]benzamide Openeye Name: N-methyl-4-methylsulfanyl-3-nitro-N-[[2-(1-piperidyl)phenyl]methyl]benzamide CAS Name: N-methyl-4-(methylthio)-3-nitro-N-[[2-(1-piperidinyl)phenyl]methyl]benzamide IUPAC Name: N-methyl-4-methylsulfanyl-3-nitro-N-[(2-piperidin-1-ylphenyl)methyl]benzamide Traditional Name: N-methyl-4-(methylthio)-3-nitro-N-(2-piperidinobenzyl)benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCCCC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCCCC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3S/c1-22(21(25)16-10-11-20(28-2)19(14-16)24(26)27)15-17-8-4-5-9-18(17)23-12-6-3-7-13-23/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3