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

Systemtic Name: diethyl-[3-[4-oxidanylidene-2-[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-quinazolin-3-yl]propyl]azanium Openeye Name: diethyl-[3-[4-oxo-2-[2-oxo-2-[2-(2-thienyl)ethylamino]ethyl]sulfanyl-quinazolin-3-yl]propyl]ammonium CAS Name: diethyl-[3-[4-oxo-2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]thio]-3-quinazolinyl]propyl]ammonium IUPAC Name: diethyl-[3-[4-oxo-2-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanylquinazolin-3-yl]propyl]azanium Traditional Name: diethyl-[3-[4-keto-2-[[2-keto-2-[2-(2-thienyl)ethylamino]ethyl]thio]quinazolin-3-yl]propyl]ammonium Formula: C23H31N4O2S2+ MolecularWeight: 459.64784

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC3=CC=CS3

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C23H30N4O2S2/c1-3-26(4-2)14-8-15-27-22(29)19-10-5-6-11-20(19)25-23(27)31-17-21(28)24-13-12-18-9-7-16-30-18/h5-7,9-11,16H,3-4,8,12-15,17H2,1-2H3,(H,24,28)/p+1