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

Systemtic Name: 1-[4-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[2-(2,5-dimethyl-1-pyrrolyl)-1,3-benzothiazol-6-yl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]piperazino]ethanone 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)N4CCN(CC4)C(=O)C)C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCN(CC4)C(=O)C)C

InChI

InChI=1S/C20H22N4O2S/c1-13-4-5-14(2)24(13)20-21-17-7-6-16(12-18(17)27-20)19(26)23-10-8-22(9-11-23)15(3)25/h4-7,12H,8-11H2,1-3H3