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

Systemtic Name: 2-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanyl-3-(3-phenylpropyl)quinazolin-4-one Openeye Name: 2-[2-oxo-2-[2-(2-thienyl)pyrrolidin-1-yl]ethyl]sulfanyl-3-(3-phenylpropyl)quinazolin-4-one CAS Name: 2-[[2-oxo-2-(2-thiophen-2-yl-1-pyrrolidinyl)ethyl]thio]-3-(3-phenylpropyl)-4-quinazolinone IUPAC Name: 2-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanyl-3-(3-phenylpropyl)quinazolin-4-one Traditional Name: 2-[[2-keto-2-[2-(2-thienyl)pyrrolidino]ethyl]thio]-3-(3-phenylpropyl)quinazolin-4-one Formula: C27H27N3O2S2 MolecularWeight: 489.65218

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C27H27N3O2S2/c31-25(29-16-7-14-23(29)24-15-8-18-33-24)19-34-27-28-22-13-5-4-12-21(22)26(32)30(27)17-6-11-20-9-2-1-3-10-20/h1-5,8-10,12-13,15,18,23H,6-7,11,14,16-17,19H2