2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidino]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CN2CCC(CC2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CN2CCC(CC2)C3=NC4=CC=CC=C4S3)C

InChI

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