diethyl-[2-[2-[(4-methoxycarbonylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[2-[(4-methoxycarbonylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl]azanium Openeye Name: diethyl-[2-[2-[(4-methoxycarbonylphenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]ethyl]ammonium CAS Name: diethyl-[2-[2-[(4-methoxycarbonylphenyl)methylthio]-4-oxo-3-quinazolinyl]ethyl]ammonium IUPAC Name: diethyl-[2-[2-[(4-methoxycarbonylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]azanium Traditional Name: 2-[2-[(4-carbomethoxybenzyl)thio]-4-keto-quinazolin-3-yl]ethyl-diethyl-ammonium Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H27N3O3S/c1-4-25(5-2)14-15-26-21(27)19-8-6-7-9-20(19)24-23(26)30-16-17-10-12-18(13-11-17)22(28)29-3/h6-13H,4-5,14-16H2,1-3H3/p+1