N-(1H-benzimidazol-2-yl)-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-yl)-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(1H-benzimidazol-2-yl)-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide CAS Name: N-(1H-benzimidazol-2-yl)-2-(2,5-dimethyl-1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(1H-benzimidazol-2-yl)-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(1H-benzimidazol-2-yl)-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NC4=NC5=CC=CC=C5N4)C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NC4=NC5=CC=CC=C5N4)C

InChI

InChI=1S/C21H17N5OS/c1-12-7-8-13(2)26(12)21-24-17-10-9-14(11-18(17)28-21)19(27)25-20-22-15-5-3-4-6-16(15)23-20/h3-11H,1-2H3,(H2,22,23,25,27)