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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-N-(2-thienylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-piperonyl-N-(2-thenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H17N3O4S2 MolecularWeight: 451.51808

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)NCC5=CC=CS5)NC3=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)NCC5=CC=CS5)NC3=S

InChI

InChI=1S/C22H17N3O4S2/c26-20(23-10-15-2-1-7-31-15)14-4-5-16-17(9-14)24-22(30)25(21(16)27)11-13-3-6-18-19(8-13)29-12-28-18/h1-9H,10-12H2,(H,23,26)(H,24,30)