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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H23N3O4S/c1-17(19-7-3-2-4-8-19)29-25(31)20-9-5-6-10-21(20)28-26(29)34-15-24(30)27-14-18-11-12-22-23(13-18)33-16-32-22/h2-13,17H,14-16H2,1H3,(H,27,30)