3-(1,3-benzodioxol-5-ylmethyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-[(1-ethyl-2-pyrrolidin-1-iumyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-keto-3-piperonyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H27N4O4S+ MolecularWeight: 467.56058

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC[NH+]1CCCC1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H26N4O4S/c1-2-27-9-3-4-17(27)12-25-22(29)16-6-7-18-19(11-16)26-24(33)28(23(18)30)13-15-5-8-20-21(10-15)32-14-31-20/h5-8,10-11,17H,2-4,9,12-14H2,1H3,(H,25,29)(H,26,33)/p+1