2-[2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[2-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[2-[[2-(1-azocanyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[2-(azocan-1-yl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[2-[[2-(azocan-1-yl)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]ethyl-diisopropyl-ammonium Formula: C25H39N4O2S+ MolecularWeight: 459.66776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCCCCC3)C(C)C

Isomeric SMILES

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCCCCC3)C(C)C

InChI

InChI=1S/C25H38N4O2S/c1-19(2)28(20(3)4)16-17-29-24(31)21-12-8-9-13-22(21)26-25(29)32-18-23(30)27-14-10-6-5-7-11-15-27/h8-9,12-13,19-20H,5-7,10-11,14-18H2,1-4H3/p+1