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

Systemtic Name: 4-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonyl]piperazin-2-one Openeye Name: 4-[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]piperazin-2-one CAS Name: 4-[[2-(2,5-dimethyl-1-pyrrolyl)-1,3-benzothiazol-6-yl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]piperazin-2-one Traditional Name: 4-[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]piperazin-2-one Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCNC(=O)C4)C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCNC(=O)C4)C

InChI

InChI=1S/C18H18N4O2S/c1-11-3-4-12(2)22(11)18-20-14-6-5-13(9-15(14)25-18)17(24)21-8-7-19-16(23)10-21/h3-6,9H,7-8,10H2,1-2H3,(H,19,23)