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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-oxidanylidene-N-(2-pyridin-2-ylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-oxo-N-[2-(2-pyridyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-oxo-N-[2-(2-pyridinyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-oxo-N-(2-pyridin-2-ylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-methyl-3-piperonyl-N-[2-(2-pyridyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(CCC1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N4O4S/c1-28(11-9-18-4-2-3-10-26-18)23(30)17-6-7-19-20(13-17)27-25(34)29(24(19)31)14-16-5-8-21-22(12-16)33-15-32-21/h2-8,10,12-13H,9,11,14-15H2,1H3,(H,27,34)