2-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-propan-2-yl-quinazolin-4-one

Systemtic Name: 2-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-propan-2-yl-quinazolin-4-one Openeye Name: 3-isopropyl-2-[2-(5-nitroindolin-1-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-3-propan-2-yl-4-quinazolinone IUPAC Name: 2-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-propan-2-ylquinazolin-4-one Traditional Name: 3-isopropyl-2-[[2-keto-2-(5-nitroindolin-1-yl)ethyl]thio]quinazolin-4-one Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC4=C3C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC4=C3C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4S/c1-13(2)24-20(27)16-5-3-4-6-17(16)22-21(24)30-12-19(26)23-10-9-14-11-15(25(28)29)7-8-18(14)23/h3-8,11,13H,9-10,12H2,1-2H3