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

Systemtic Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(1-ethyl-2-pyrrolidin-1-iumyl)methyl]-4-oxo-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-benzyl-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-benzyl-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2S/c1-2-26-12-6-9-18(26)14-24-21(28)17-10-11-19-20(13-17)25-23(30)27(22(19)29)15-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,18H,2,6,9,12,14-15H2,1H3,(H,24,28)(H,25,30)/p+1