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

Systemtic Name: N-(3-acetamidophenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-(3-acetamidophenyl)-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-(3-acetamidophenyl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(3-acetamidophenyl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-(3-acetamidophenyl)-4-(isoamylthio)-3-nitro-benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-13(2)9-10-28-19-8-7-15(11-18(19)23(26)27)20(25)22-17-6-4-5-16(12-17)21-14(3)24/h4-8,11-13H,9-10H2,1-3H3,(H,21,24)(H,22,25)