2-[3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[3-(3-chloro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[[3-(3-chloro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[3-(3-chloro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[[3-(3-chloro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide Formula: C26H21ClN4O2S2 MolecularWeight: 521.05354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NC5=C(C=C(C=C5S4)C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NC5=C(C=C(C=C5S4)C)C)Cl

InChI

InChI=1S/C26H21ClN4O2S2/c1-14-10-16(3)23-21(11-14)35-25(30-23)29-22(32)13-34-26-28-20-7-5-4-6-18(20)24(33)31(26)17-9-8-15(2)19(27)12-17/h4-12H,13H2,1-3H3,(H,29,30,32)