N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]-N-piperonyl-propionamide Formula: C22H23N3O4S MolecularWeight: 425.50072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

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