2-[[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]amino]ethyl-diethylazanium Traditional Name: 2-[[3-(2-chlorobenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]amino]ethyl-diethyl-ammonium Formula: C22H26ClN4O2S+ MolecularWeight: 445.98544

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3Cl

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3Cl

InChI

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