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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-benzylsulfanylethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-N-[2-(phenylmethylthio)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-benzylsulfanylethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-4-keto-3-piperonyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C26H23N3O4S2 MolecularWeight: 505.60852

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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)NCCSCC5=CC=CC=C5)NC3=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)NCCSCC5=CC=CC=C5)NC3=S

InChI

InChI=1S/C26H23N3O4S2/c30-24(27-10-11-35-15-17-4-2-1-3-5-17)19-7-8-20-21(13-19)28-26(34)29(25(20)31)14-18-6-9-22-23(12-18)33-16-32-22/h1-9,12-13H,10-11,14-16H2,(H,27,30)(H,28,34)