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

Systemtic Name: diethyl-[3-[4-oxidanylidene-2-[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl]sulfanyl-quinazolin-3-yl]propyl]azanium Openeye Name: 3-[2-[2-(2-allylsulfanylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-diethyl-ammonium CAS Name: diethyl-[3-[4-oxo-2-[[2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl]thio]-3-quinazolinyl]propyl]ammonium IUPAC Name: diethyl-[3-[4-oxo-2-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]sulfanylquinazolin-3-yl]propyl]azanium Traditional Name: 3-[2-[[2-[2-(allylthio)anilino]-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-diethyl-ammonium Formula: C26H33N4O2S2+ MolecularWeight: 497.69582

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3SCC=C

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3SCC=C

InChI

InChI=1S/C26H32N4O2S2/c1-4-18-33-23-15-10-9-14-22(23)27-24(31)19-34-26-28-21-13-8-7-12-20(21)25(32)30(26)17-11-16-29(5-2)6-3/h4,7-10,12-15H,1,5-6,11,16-19H2,2-3H3,(H,27,31)/p+1