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

Systemtic Name: 3-butyl-2-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-butyl-2-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-butyl-2-[[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-butyl-2-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-butyl-2-[[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-keto-ethyl]thio]quinazolin-4-one Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCC3C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC[C@H]3C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H29N3O4S/c1-2-3-12-29-25(31)19-7-4-5-8-20(19)27-26(29)34-17-24(30)28-13-6-9-21(28)18-10-11-22-23(16-18)33-15-14-32-22/h4-5,7-8,10-11,16,21H,2-3,6,9,12-15,17H2,1H3/t21-/m0/s1