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

Systemtic Name: 2-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[2-oxo-2-[2-(2-thienyl)pyrrolidin-1-yl]ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-oxo-2-(2-thiophen-2-yl-1-pyrrolidinyl)ethyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[[2-keto-2-[2-(2-thienyl)pyrrolidino]ethyl]thio]quinazolin-4-one Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCC3C4=CC=CS4

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCC3C4=CC=CS4

InChI

InChI=1S/C21H21N3O2S2/c1-2-11-24-20(26)15-7-3-4-8-16(15)22-21(24)28-14-19(25)23-12-5-9-17(23)18-10-6-13-27-18/h2-4,6-8,10,13,17H,1,5,9,11-12,14H2