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

Systemtic Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxidanylpropyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(3-hydroxypropyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-N-(3-hydroxypropyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(3-hydroxypropyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(3-hydroxypropyl)-1,3-benzothiazole-6-carboxamide Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2S/c1-11-4-5-12(2)20(11)17-19-14-7-6-13(10-15(14)23-17)16(22)18-8-3-9-21/h4-7,10,21H,3,8-9H2,1-2H3,(H,18,22)