N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(2-methoxyethyl)-N-piperonyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H19N3O5S MolecularWeight: 413.44696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)NC1=S

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)NC1=S

InChI

InChI=1S/C20H19N3O5S/c1-26-7-6-23-19(25)14-4-3-13(9-15(14)22-20(23)29)18(24)21-10-12-2-5-16-17(8-12)28-11-27-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,21,24)(H,22,29)