2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(4-propan-2-ylphenyl)quinazolin-4-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(4-propan-2-ylphenyl)quinazolin-4-one Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(4-isopropylphenyl)quinazolin-4-one CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-3-(4-propan-2-ylphenyl)-4-quinazolinone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-(4-propan-2-ylphenyl)quinazolin-4-one Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-3-p-cumenyl-quinazolin-4-one Formula: C25H21N3OS2 MolecularWeight: 443.58374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H21N3OS2/c1-16(2)17-11-13-18(14-12-17)28-24(29)19-7-3-4-8-20(19)27-25(28)30-15-23-26-21-9-5-6-10-22(21)31-23/h3-14,16H,15H2,1-2H3