N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC[NH+]1CCCC1CNC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S

InChI

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