N-(3-ethanoylphenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-(3-ethanoylphenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-(3-acetylphenyl)-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-(3-acetylphenyl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(3-acetylphenyl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-(3-acetylphenyl)-4-(isoamylthio)-3-nitro-benzamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O4S/c1-13(2)9-10-27-19-8-7-16(12-18(19)22(25)26)20(24)21-17-6-4-5-15(11-17)14(3)23/h4-8,11-13H,9-10H2,1-3H3,(H,21,24)