2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-chloranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-chloranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-chloro-4-methyl-phenyl)acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-quinazolinyl]thio]-N-(3-chloro-4-methylphenyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-chloro-4-methylphenyl)acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[(4-keto-3-piperonyl-quinazolin-2-yl)thio]acetamide Formula: C25H20ClN3O4S MolecularWeight: 493.962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C25H20ClN3O4S/c1-15-6-8-17(11-19(15)26)27-23(30)13-34-25-28-20-5-3-2-4-18(20)24(31)29(25)12-16-7-9-21-22(10-16)33-14-32-21/h2-11H,12-14H2,1H3,(H,27,30)