N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethyl-1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-N-homoveratryl-1,3-benzothiazole-6-carboxamide Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C24H25N3O3S/c1-15-5-6-16(2)27(15)24-26-19-9-8-18(14-22(19)31-24)23(28)25-12-11-17-7-10-20(29-3)21(13-17)30-4/h5-10,13-14H,11-12H2,1-4H3,(H,25,28)