N-(2-ethyl-6-methyl-phenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-4-(isoamylthio)-3-nitro-benzamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H26N2O3S/c1-5-16-8-6-7-15(4)20(16)22-21(24)17-9-10-19(18(13-17)23(25)26)27-12-11-14(2)3/h6-10,13-14H,5,11-12H2,1-4H3,(H,22,24)