diethyl-[2-[4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]carbonyloxyethyl]azanium

Systemtic Name: diethyl-[2-[4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]carbonyloxyethyl]azanium Openeye Name: diethyl-[2-[4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)benzoyl]oxyethyl]ammonium CAS Name: diethyl-[2-[oxo-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]methoxy]ethyl]ammonium IUPAC Name: diethyl-[2-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoyl]oxyethyl]azanium Traditional Name: diethyl-[2-[4-(4-keto-2-thioxo-1H-quinazolin-3-yl)benzoyl]oxyethyl]ammonium Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H23N3O3S/c1-3-23(4-2)13-14-27-20(26)15-9-11-16(12-10-15)24-19(25)17-7-5-6-8-18(17)22-21(24)28/h5-12H,3-4,13-14H2,1-2H3,(H,22,28)/p+1