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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-N-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-phenethyl-3-piperonyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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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=CC=CC=C5)NC3=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)NCCC5=CC=CC=C5)NC3=S

InChI

InChI=1S/C25H21N3O4S/c29-23(26-11-10-16-4-2-1-3-5-16)18-7-8-19-20(13-18)27-25(33)28(24(19)30)14-17-6-9-21-22(12-17)32-15-31-21/h1-9,12-13H,10-11,14-15H2,(H,26,29)(H,27,33)