[4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylphenyl]-phenyl-methanone

Systemtic Name: [4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylphenyl]-phenyl-methanone Openeye Name: [4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-phenyl-methanone CAS Name: [4-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]phenyl]-phenylmethanone IUPAC Name: [4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone Traditional Name: [4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-phenyl-methanone Formula: C25H20N2O2S MolecularWeight: 412.5035

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H20N2O2S/c28-23(17-7-2-1-3-8-17)18-12-14-19(15-13-18)25(29)27-16-6-10-21(27)24-26-20-9-4-5-11-22(20)30-24/h1-5,7-9,11-15,21H,6,10,16H2/t21-/m0/s1