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

Systemtic Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(2,5-dimethylpyrrol-1-yl)-N-isobutyl-1,3-benzothiazole-6-carboxamide CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-N-isobutyl-1,3-benzothiazole-6-carboxamide Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NCC(C)C)C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NCC(C)C)C

InChI

InChI=1S/C18H21N3OS/c1-11(2)10-19-17(22)14-7-8-15-16(9-14)23-18(20-15)21-12(3)5-6-13(21)4/h5-9,11H,10H2,1-4H3,(H,19,22)