[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(3-pyrrol-1-ylphenyl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[3-(1-pyrrolyl)phenyl]methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone Traditional Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-(3-pyrrol-1-ylphenyl)methanone Formula: C23H21N3OS MolecularWeight: 387.49734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=CC=C2)N3C=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC(=CC=C2)N3C=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H21N3OS/c27-23(17-7-5-9-19(15-17)25-12-3-4-13-25)26-14-6-8-18(16-26)22-24-20-10-1-2-11-21(20)28-22/h1-5,7,9-13,15,18H,6,8,14,16H2/t18-/m0/s1