N-[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-(3,5-dimethoxyanilino)-2-oxo-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-(3,5-dimethoxyanilino)-2-keto-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4)OC

InChI

InChI=1S/C22H20N4O4S/c1-29-16-10-15(11-17(12-16)30-2)24-20(27)13-23-21(28)14-5-6-18-19(9-14)31-22(25-18)26-7-3-4-8-26/h3-12H,13H2,1-2H3,(H,23,28)(H,24,27)