N-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-6-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-6-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-4-oxo-2-thioxo-1H-quinazoline-6-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-6-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-6-carboxamide Traditional Name: 3-benzyl-4-keto-N-piperonyl-2-thioxo-1H-quinazoline-6-carboxamide Formula: C24H19N3O4S MolecularWeight: 445.49036

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC4=C(C=C3)NC(=S)N(C4=O)CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC4=C(C=C3)NC(=S)N(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C24H19N3O4S/c28-22(25-12-16-6-9-20-21(10-16)31-14-30-20)17-7-8-19-18(11-17)23(29)27(24(32)26-19)13-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,25,28)(H,26,32)