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

Systemtic Name: 3-[2-[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-[2-(4-cyanoanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-[[2-(4-cyanoanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-dimethylammonium IUPAC Name: 3-[2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-dimethylazanium Traditional Name: 3-[2-[[2-(4-cyanoanilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C22H24N5O2S+ MolecularWeight: 422.52326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2S/c1-26(2)12-5-13-27-21(29)18-6-3-4-7-19(18)25-22(27)30-15-20(28)24-17-10-8-16(14-23)9-11-17/h3-4,6-11H,5,12-13,15H2,1-2H3,(H,24,28)/p+1