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

Systemtic Name: 2-[[3-[(4-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-[(4-chlorophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-(4-chlorobenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C20H22ClN4O2S+ MolecularWeight: 417.93228

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4O2S/c1-24(2)10-9-22-18(26)14-5-8-16-17(11-14)23-20(28)25(19(16)27)12-13-3-6-15(21)7-4-13/h3-8,11H,9-10,12H2,1-2H3,(H,22,26)(H,23,28)/p+1