4-(3-methylbutylsulfanyl)-3-nitro-N-(4-propan-2-ylphenyl)benzamide

Systemtic Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-(4-propan-2-ylphenyl)benzamide Openeye Name: 4-isopentylsulfanyl-N-(4-isopropylphenyl)-3-nitro-benzamide CAS Name: 4-(3-methylbutylthio)-3-nitro-N-(4-propan-2-ylphenyl)benzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-(4-propan-2-ylphenyl)benzamide Traditional Name: 4-(isoamylthio)-3-nitro-N-p-cumenyl-benzamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-14(2)11-12-27-20-10-7-17(13-19(20)23(25)26)21(24)22-18-8-5-16(6-9-18)15(3)4/h5-10,13-15H,11-12H2,1-4H3,(H,22,24)