N-(3,5-dimethylphenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-(3,5-dimethylphenyl)-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-(3,5-dimethylphenyl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(3,5-dimethylphenyl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-(3,5-dimethylphenyl)-4-(isoamylthio)-3-nitro-benzamide Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S/c1-13(2)7-8-26-19-6-5-16(12-18(19)22(24)25)20(23)21-17-10-14(3)9-15(4)11-17/h5-6,9-13H,7-8H2,1-4H3,(H,21,23)