3-nitro-4-[2-oxidanylidene-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]sulfanyl-benzamide Openeye Name: 4-[2-(6-isopropyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]sulfanylbenzamide Traditional Name: 4-[[2-(6-isopropyl-3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(CCC2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(CCC2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4S/c1-13(2)14-5-7-17-15(10-14)4-3-9-23(17)20(25)12-29-19-8-6-16(21(22)26)11-18(19)24(27)28/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H2,22,26)