2-[4-oxidanylidene-2-[2-oxidanylidene-2-(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)ethyl]sulfanyl-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[4-oxidanylidene-2-[2-oxidanylidene-2-(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)ethyl]sulfanyl-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[4-oxo-2-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]sulfanyl-quinazolin-3-yl]ethyl]ammonium CAS Name: 2-[4-oxo-2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thio]-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[4-oxo-2-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]sulfanylquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[4-keto-2-[[2-keto-2-(2-keto-3,4-dihydro-1H-quinolin-6-yl)ethyl]thio]quinazolin-3-yl]ethyl]ammonium Formula: C27H33N4O3S+ MolecularWeight: 493.64092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)NC(=O)CC4)C(C)C

Isomeric SMILES

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)NC(=O)CC4)C(C)C

InChI

InChI=1S/C27H32N4O3S/c1-17(2)30(18(3)4)13-14-31-26(34)21-7-5-6-8-23(21)29-27(31)35-16-24(32)20-9-11-22-19(15-20)10-12-25(33)28-22/h5-9,11,15,17-18H,10,12-14,16H2,1-4H3,(H,28,33)/p+1