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

Systemtic Name: N-(4-methoxyphenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-(4-methoxyphenyl)-3-nitro-benzamide CAS Name: N-(4-methoxyphenyl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(4-methoxyphenyl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-(4-methoxyphenyl)-3-nitro-benzamide Formula: C19H22N2O4S MolecularWeight: 374.45398

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S/c1-13(2)10-11-26-18-9-4-14(12-17(18)21(23)24)19(22)20-15-5-7-16(25-3)8-6-15/h4-9,12-13H,10-11H2,1-3H3,(H,20,22)