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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-4aH-quinazoline-7-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-4-oxo-2-thioxo-4aH-quinazoline-7-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3-(phenylmethyl)-2-sulfanylidene-4aH-quinazoline-7-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-4-oxo-2-sulfanylidene-4aH-quinazoline-7-carboxamide Traditional Name: 3-benzyl-4-keto-N-piperonyl-2-thioxo-4aH-quinazoline-7-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=NC(=S)N(C(=O)C4C=C3)CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC4=NC(=S)N(C(=O)C4C=C3)CC5=CC=CC=C5

InChI

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