2-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-3-methyl-quinazolin-4-one

Systemtic Name: 2-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-3-methyl-quinazolin-4-one Openeye Name: 2-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxo-propyl]-3-methyl-quinazolin-4-one CAS Name: 2-[3-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-oxopropyl]-3-methyl-4-quinazolinone IUPAC Name: 2-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-3-methylquinazolin-4-one Traditional Name: 2-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-keto-propyl]-3-methyl-quinazolin-4-one Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)N3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)N3CCC[C@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H22N4O2S/c1-26-20(24-16-8-3-2-7-15(16)23(26)29)12-13-21(28)27-14-6-10-18(27)22-25-17-9-4-5-11-19(17)30-22/h2-5,7-9,11,18H,6,10,12-14H2,1H3/t18-/m0/s1