N-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-(3,4-diethoxyanilino)-2-oxo-ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-(3,4-diethoxyanilino)-2-keto-ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC3=C(C=C2)N=CS3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC3=C(C=C2)N=CS3)OCC

InChI

InChI=1S/C21H23N3O4S/c1-4-27-17-9-7-15(11-18(17)28-5-2)23-20(25)12-24(3)21(26)14-6-8-16-19(10-14)29-13-22-16/h6-11,13H,4-5,12H2,1-3H3,(H,23,25)