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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-quinazolinyl]thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[(4-keto-3-piperonyl-quinazolin-2-yl)thio]-N-(3-methoxyphenyl)acetamide Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H21N3O5S/c1-31-18-6-4-5-17(12-18)26-23(29)14-34-25-27-20-8-3-2-7-19(20)24(30)28(25)13-16-9-10-21-22(11-16)33-15-32-21/h2-12H,13-15H2,1H3,(H,26,29)