N-methyl-4-(3-methylbutylsulfanyl)-3-nitro-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]benzamide

Systemtic Name: N-methyl-4-(3-methylbutylsulfanyl)-3-nitro-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]benzamide Openeye Name: 4-isopentylsulfanyl-N-[2-(isopropylamino)-2-oxo-ethyl]-N-methyl-3-nitro-benzamide CAS Name: N-methyl-4-(3-methylbutylthio)-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide IUPAC Name: N-methyl-4-(3-methylbutylsulfanyl)-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide Traditional Name: 4-(isoamylthio)-N-[2-(isopropylamino)-2-keto-ethyl]-N-methyl-3-nitro-benzamide Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S/c1-12(2)8-9-26-16-7-6-14(10-15(16)21(24)25)18(23)20(5)11-17(22)19-13(3)4/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,19,22)