N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C25H20N4O3S2 MolecularWeight: 488.5813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NC5=C(S4)C=C(C=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NC5=C(S4)C=C(C=C5)OC

InChI

InChI=1S/C25H20N4O3S2/c1-15-7-9-16(10-8-15)29-23(31)18-5-3-4-6-19(18)27-25(29)33-14-22(30)28-24-26-20-12-11-17(32-2)13-21(20)34-24/h3-13H,14H2,1-2H3,(H,26,28,30)