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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-quinazolinyl]thio]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)acetamide Traditional Name: N-(3,4-dimethylphenyl)-2-[(4-keto-3-piperonyl-quinazolin-2-yl)thio]acetamide Formula: C26H23N3O4S MolecularWeight: 473.54352

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O4S/c1-16-7-9-19(11-17(16)2)27-24(30)14-34-26-28-21-6-4-3-5-20(21)25(31)29(26)13-18-8-10-22-23(12-18)33-15-32-22/h3-12H,13-15H2,1-2H3,(H,27,30)