3-butyl-2-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-butyl-2-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-butyl-2-[2-oxo-2-[2-(2-thienyl)pyrrolidin-1-yl]ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-butyl-2-[[2-oxo-2-(2-thiophen-2-yl-1-pyrrolidinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-butyl-2-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-butyl-2-[[2-keto-2-[2-(2-thienyl)pyrrolidino]ethyl]thio]quinazolin-4-one Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCC3C4=CC=CS4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCC3C4=CC=CS4

InChI

InChI=1S/C22H25N3O2S2/c1-2-3-12-25-21(27)16-8-4-5-9-17(16)23-22(25)29-15-20(26)24-13-6-10-18(24)19-11-7-14-28-19/h4-5,7-9,11,14,18H,2-3,6,10,12-13,15H2,1H3