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

Systemtic Name: 2-[[3-[(2-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-[(2-methoxyphenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-keto-3-o-anisyl-2-thioxo-1H-quinazoline-7-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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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=CC=C3OC

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3OC

InChI

InChI=1S/C21H24N4O3S/c1-24(2)11-10-22-19(26)14-8-9-16-17(12-14)23-21(29)25(20(16)27)13-15-6-4-5-7-18(15)28-3/h4-9,12H,10-11,13H2,1-3H3,(H,22,26)(H,23,29)/p+1