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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-butyl-ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-butyl-acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-quinazolinyl]thio]-N-butylacetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-butylacetamide Traditional Name: N-butyl-2-[(4-keto-3-piperonyl-quinazolin-2-yl)thio]acetamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23N3O4S/c1-2-3-10-23-20(26)13-30-22-24-17-7-5-4-6-16(17)21(27)25(22)12-15-8-9-18-19(11-15)29-14-28-18/h4-9,11H,2-3,10,12-14H2,1H3,(H,23,26)