[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4-pyrrol-1-ylphenyl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[4-(1-pyrrolyl)phenyl]methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone Traditional Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-(4-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=C(C=C2)N3C=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

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

InChI

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