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

Systemtic Name: 3-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: 3-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-oxo-quinazolin-3-yl]propyl-diethyl-ammonium CAS Name: 3-[2-(1,3-benzothiazol-2-ylmethylthio)-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: 3-[2-(1,3-benzothiazol-2-ylmethylthio)-4-keto-quinazolin-3-yl]propyl-diethyl-ammonium Formula: C23H27N4OS2+ MolecularWeight: 439.61668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4OS2/c1-3-26(4-2)14-9-15-27-22(28)17-10-5-6-11-18(17)25-23(27)29-16-21-24-19-12-7-8-13-20(19)30-21/h5-8,10-13H,3-4,9,14-16H2,1-2H3/p+1