N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylsulfonylphenyl)amino]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylsulfonylphenyl)amino]-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfonylanilino)thiazole-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfonylanilino)-4-thiazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfonylanilino)-1,3-thiazole-4-carboxamide Traditional Name: N-homoveratryl-2-(4-mesylanilino)thiazole-4-carboxamide Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)C)OC

InChI

InChI=1S/C21H23N3O5S2/c1-28-18-9-4-14(12-19(18)29-2)10-11-22-20(25)17-13-30-21(24-17)23-15-5-7-16(8-6-15)31(3,26)27/h4-9,12-13H,10-11H2,1-3H3,(H,22,25)(H,23,24)