1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-naphthalen-2-yl-butane-1,4-dione

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-naphthalen-2-yl-butane-1,4-dione Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(2-naphthyl)butane-1,4-dione CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-4-(2-naphthalenyl)butane-1,4-dione IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-naphthalen-2-ylbutane-1,4-dione Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-4-(2-naphthyl)butane-1,4-dione Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCC(=O)C2=CC3=CC=CC=C3C=C2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(N(C1)C(=O)CCC(=O)C2=CC3=CC=CC=C3C=C2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H22N2O2S/c28-22(19-12-11-17-6-1-2-7-18(17)16-19)13-14-24(29)27-15-5-9-21(27)25-26-20-8-3-4-10-23(20)30-25/h1-4,6-8,10-12,16,21H,5,9,13-15H2