3-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(1H-imidazol-5-yl)ethyl]-4-keto-3-piperonyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H19N5O4S MolecularWeight: 449.48236

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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)NCCC5=CN=CN5)NC3=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)NCCC5=CN=CN5)NC3=S

InChI

InChI=1S/C22H19N5O4S/c28-20(24-6-5-15-9-23-11-25-15)14-2-3-16-17(8-14)26-22(32)27(21(16)29)10-13-1-4-18-19(7-13)31-12-30-18/h1-4,7-9,11H,5-6,10,12H2,(H,23,25)(H,24,28)(H,26,32)