N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-2,4-bis(oxidanylidene)-3-(thiophen-2-ylmethyl)quinazoline-6-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-2,4-bis(oxidanylidene)-3-(thiophen-2-ylmethyl)quinazoline-6-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-2,4-dioxo-3-(2-thienylmethyl)quinazoline-6-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-2,4-dioxo-3-(thiophen-2-ylmethyl)-6-quinazolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-2,4-dioxo-3-(thiophen-2-ylmethyl)quinazoline-6-carboxamide Traditional Name: 2,4-diketo-1-methyl-N-piperonyl-3-(2-thenyl)quinazoline-6-carboxamide Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)N(C1=O)CC5=CC=CS5

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)N(C1=O)CC5=CC=CS5

InChI

InChI=1S/C23H19N3O5S/c1-25-18-6-5-15(21(27)24-11-14-4-7-19-20(9-14)31-13-30-19)10-17(18)22(28)26(23(25)29)12-16-3-2-8-32-16/h2-10H,11-13H2,1H3,(H,24,27)