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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3-pentyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-amyl-4-keto-N-piperonyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)NC1=S

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)NC1=S

InChI

InChI=1S/C22H23N3O4S/c1-2-3-4-9-25-21(27)16-7-6-15(11-17(16)24-22(25)30)20(26)23-12-14-5-8-18-19(10-14)29-13-28-18/h5-8,10-11H,2-4,9,12-13H2,1H3,(H,23,26)(H,24,30)