3-[[3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]carbonylamino]propyl-diethyl-azanium

Systemtic Name: 3-[[3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[3-(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)benzoyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoyl]amino]propyl-diethylazanium Traditional Name: 3-[[3-(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)benzoyl]amino]propyl-diethyl-ammonium Formula: C22H26ClN4O2S+ MolecularWeight: 445.98544

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=S

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=S

InChI

InChI=1S/C22H25ClN4O2S/c1-3-26(4-2)12-6-11-24-20(28)15-7-5-8-17(13-15)27-21(29)18-10-9-16(23)14-19(18)25-22(27)30/h5,7-10,13-14H,3-4,6,11-12H2,1-2H3,(H,24,28)(H,25,30)/p+1