3-cyclopentyl-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-cyclopentyl-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-cyclopentyl-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-cyclopentyl-2-[[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-cyclopentyl-2-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-cyclopentyl-2-[[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-keto-ethyl]thio]quinazolin-4-one Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCC4C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC[C@H]4C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C27H29N3O4S/c31-25(29-13-5-10-22(29)18-11-12-23-24(16-18)34-15-14-33-23)17-35-27-28-21-9-4-3-8-20(21)26(32)30(27)19-6-1-2-7-19/h3-4,8-9,11-12,16,19,22H,1-2,5-7,10,13-15,17H2/t22-/m0/s1