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

Systemtic Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide Openeye Name: 4-isopentylsulfanyl-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide CAS Name: 4-(3-methylbutylthio)-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide Traditional Name: 4-(isoamylthio)-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide Formula: C21H26N2O6S MolecularWeight: 434.50594

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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)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-13(2)8-9-30-19-7-6-14(10-16(19)23(25)26)21(24)22-15-11-17(27-3)20(29-5)18(12-15)28-4/h6-7,10-13H,8-9H2,1-5H3,(H,22,24)