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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(3-ethoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(3-ethoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-ethoxypropyl)-4-keto-3-piperonyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23N3O5S/c1-2-28-9-3-8-23-20(26)15-5-6-16-17(11-15)24-22(31)25(21(16)27)12-14-4-7-18-19(10-14)30-13-29-18/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,23,26)(H,24,31)