1-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonyl]piperidine-4-carboxamide

Systemtic Name: 1-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonyl]piperidine-4-carboxamide Openeye Name: 1-[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-(2,5-dimethyl-1-pyrrolyl)-1,3-benzothiazol-6-yl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]isonipecotamide Formula: C20H22N4O2S MolecularWeight: 382.47928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)C

InChI

InChI=1S/C20H22N4O2S/c1-12-3-4-13(2)24(12)20-22-16-6-5-15(11-17(16)27-20)19(26)23-9-7-14(8-10-23)18(21)25/h3-6,11,14H,7-10H2,1-2H3,(H2,21,25)