3-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-(1,3-benzothiazol-2-ylmethylthio)-4-oxo-3-quinazolinyl]propyl-dimethylammonium IUPAC Name: 3-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-oxoquinazolin-3-yl]propyl-dimethylazanium Traditional Name: 3-[2-(1,3-benzothiazol-2-ylmethylthio)-4-keto-quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C21H23N4OS2+ MolecularWeight: 411.56352

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+](C)CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4OS2/c1-24(2)12-7-13-25-20(26)15-8-3-4-9-16(15)23-21(25)27-14-19-22-17-10-5-6-11-18(17)28-19/h3-6,8-11H,7,12-14H2,1-2H3/p+1