[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)methanone

Systemtic Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)methanone Openeye Name: [(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methanone CAS Name: [(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)methanone IUPAC Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methanone Traditional Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methanone Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H27N3OS/c1-14(2)25-15(3)12-18(16(25)4)22(26)24-11-7-8-17(13-24)21-23-19-9-5-6-10-20(19)27-21/h5-6,9-10,12,14,17H,7-8,11,13H2,1-4H3/t17-/m1/s1