2-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-propyl-quinazolin-4-one

Systemtic Name: 2-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 2-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxo-ethyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 2-[[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-oxoethyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 2-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 2-[[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-keto-ethyl]thio]-3-propyl-quinazolin-4-one Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCC3C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC[C@H]3C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H27N3O4S/c1-2-11-28-24(30)18-6-3-4-7-19(18)26-25(28)33-16-23(29)27-12-5-8-20(27)17-9-10-21-22(15-17)32-14-13-31-21/h3-4,6-7,9-10,15,20H,2,5,8,11-14,16H2,1H3/t20-/m0/s1