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

Systemtic Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]benzamide Openeye Name: 4-isopentylsulfanyl-N-[2-(isopropylamino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-(3-methylbutylthio)-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide Traditional Name: 4-(isoamylthio)-N-[2-(isopropylamino)-2-keto-ethyl]-3-nitro-benzamide Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4S/c1-11(2)7-8-25-15-6-5-13(9-14(15)20(23)24)17(22)18-10-16(21)19-12(3)4/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,18,22)(H,19,21)