4-(3-methylbutylsulfanyl)-N-[(4-methylphenyl)methyl]-3-nitro-benzamide

Systemtic Name: 4-(3-methylbutylsulfanyl)-N-[(4-methylphenyl)methyl]-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-3-nitro-N-(p-tolylmethyl)benzamide CAS Name: 4-(3-methylbutylthio)-N-[(4-methylphenyl)methyl]-3-nitrobenzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-N-[(4-methylphenyl)methyl]-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-(4-methylbenzyl)-3-nitro-benzamide Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O3S/c1-14(2)10-11-26-19-9-8-17(12-18(19)22(24)25)20(23)21-13-16-6-4-15(3)5-7-16/h4-9,12,14H,10-11,13H2,1-3H3,(H,21,23)