dimethyl-[3-[4-oxidanylidene-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-quinazolin-3-yl]propyl]azanium

Systemtic Name: dimethyl-[3-[4-oxidanylidene-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-quinazolin-3-yl]propyl]azanium Openeye Name: 3-[2-(2-anilino-2-oxo-ethyl)sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-[(2-anilino-2-oxoethyl)thio]-4-oxo-3-quinazolinyl]propyl-dimethylammonium IUPAC Name: 3-[2-(2-anilino-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]propyl-dimethylazanium Traditional Name: 3-[2-[(2-anilino-2-keto-ethyl)thio]-4-keto-quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-24(2)13-8-14-25-20(27)17-11-6-7-12-18(17)23-21(25)28-15-19(26)22-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3,(H,22,26)/p+1