3-[2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium

Systemtic Name: 3-[2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: 3-[2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-diethyl-ammonium CAS Name: 3-[2-[[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: 3-[2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-diethyl-ammonium Formula: C25H37N4O2S+ MolecularWeight: 457.65188

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC3=CCCCC3

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC3=CCCCC3

InChI

InChI=1S/C25H36N4O2S/c1-3-28(4-2)17-10-18-29-24(31)21-13-8-9-14-22(21)27-25(29)32-19-23(30)26-16-15-20-11-6-5-7-12-20/h8-9,11,13-14H,3-7,10,12,15-19H2,1-2H3,(H,26,30)/p+1