2-(2,5-dimethylpyrrol-1-yl)-N-(3-imidazol-1-ylpropyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(3-imidazol-1-ylpropyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(3-imidazol-1-ylpropyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-N-[3-(1-imidazolyl)propyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(3-imidazol-1-ylpropyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(3-imidazol-1-ylpropyl)-1,3-benzothiazole-6-carboxamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NCCCN4C=CN=C4)C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NCCCN4C=CN=C4)C

InChI

InChI=1S/C20H21N5OS/c1-14-4-5-15(2)25(14)20-23-17-7-6-16(12-18(17)27-20)19(26)22-8-3-10-24-11-9-21-13-24/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,22,26)