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

Systemtic Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S/c1-12-5-6-13(2)21(12)18-20-15-8-7-14(11-16(15)24-18)17(22)19-9-4-10-23-3/h5-8,11H,4,9-10H2,1-3H3,(H,19,22)