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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[2-(phenylmethylsulfanyl)ethyl]-1,3-thiazole-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(3,4-dimethoxyphenyl)thiazole-4-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[2-(phenylmethylthio)ethyl]-4-thiazolecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(3,4-dimethoxyphenyl)thiazole-4-carboxamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)NCCSCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)NCCSCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H22N2O3S2/c1-25-18-9-8-16(12-19(18)26-2)21-23-17(14-28-21)20(24)22-10-11-27-13-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,24)