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

Systemtic Name: diethyl-[3-[4-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-quinazolin-3-yl]propyl]azanium Openeye Name: diethyl-[3-[4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-quinazolin-3-yl]propyl]ammonium CAS Name: diethyl-[3-[4-oxo-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-3-quinazolinyl]propyl]ammonium IUPAC Name: diethyl-[3-[4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanylquinazolin-3-yl]propyl]azanium Traditional Name: diethyl-[3-[4-keto-2-[[2-keto-2-(phenethylamino)ethyl]thio]quinazolin-3-yl]propyl]ammonium Formula: C25H33N4O2S+ MolecularWeight: 453.62012

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C25H32N4O2S/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/h5-9,11-14H,3-4,10,15-19H2,1-2H3,(H,26,30)/p+1