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

Systemtic Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(3-methylbutyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(2,5-dimethylpyrrol-1-yl)-N-isopentyl-1,3-benzothiazole-6-carboxamide CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-N-(3-methylbutyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(3-methylbutyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-N-isoamyl-1,3-benzothiazole-6-carboxamide Formula: C19H23N3OS MolecularWeight: 341.47042

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)NCCC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3OS/c1-12(2)9-10-20-18(23)15-7-8-16-17(11-15)24-19(21-16)22-13(3)5-6-14(22)4/h5-8,11-12H,9-10H2,1-4H3,(H,20,23)