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

Systemtic Name: 3-[2-[2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: 3-[2-[2-(2,4-dichloroanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-diethyl-ammonium CAS Name: 3-[2-[[2-(2,4-dichloroanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: 3-[2-[[2-(2,4-dichloroanilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-diethyl-ammonium Formula: C23H27Cl2N4O2S+ MolecularWeight: 494.45708

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H26Cl2N4O2S/c1-3-28(4-2)12-7-13-29-22(31)17-8-5-6-9-19(17)27-23(29)32-15-21(30)26-20-11-10-16(24)14-18(20)25/h5-6,8-11,14H,3-4,7,12-13,15H2,1-2H3,(H,26,30)/p+1