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

Systemtic Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-oxo-3-phenyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(1-ethyl-2-pyrrolidin-1-iumyl)methyl]-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-keto-3-phenyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S/c1-2-25-12-6-9-17(25)14-23-20(27)15-10-11-18-19(13-15)24-22(29)26(21(18)28)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,17H,2,6,9,12,14H2,1H3,(H,23,27)(H,24,29)/p+1