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

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NC4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NC4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C22H21N3O3S/c1-13-5-6-14(2)25(13)22-24-17-9-7-15(11-20(17)29-22)21(26)23-16-8-10-18(27-3)19(12-16)28-4/h5-12H,1-4H3,(H,23,26)