2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-[(4-chlorophenyl)methyl]quinazolin-4-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-[(4-chlorophenyl)methyl]quinazolin-4-one Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-[(4-chlorophenyl)methyl]quinazolin-4-one CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-3-[(4-chlorophenyl)methyl]-4-quinazolinone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-[(4-chlorophenyl)methyl]quinazolin-4-one Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-3-(4-chlorobenzyl)quinazolin-4-one Formula: C23H16ClN3OS2 MolecularWeight: 449.97564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4S3)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4S3)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H16ClN3OS2/c24-16-11-9-15(10-12-16)13-27-22(28)17-5-1-2-6-18(17)26-23(27)29-14-21-25-19-7-3-4-8-20(19)30-21/h1-12H,13-14H2