N-[(2-methoxyphenyl)methyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-[(2-methoxyphenyl)methyl]-3-nitro-benzamide CAS Name: N-[(2-methoxyphenyl)methyl]-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-3-nitro-N-o-anisyl-benzamide Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2OC)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O4S/c1-14(2)10-11-27-19-9-8-15(12-17(19)22(24)25)20(23)21-13-16-6-4-5-7-18(16)26-3/h4-9,12,14H,10-11,13H2,1-3H3,(H,21,23)