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

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(2,3-dimethoxyphenyl)thiazole-4-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-(2,3-dimethoxyphenyl)-4-thiazolecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-2-(2,3-dimethoxyphenyl)thiazole-4-carboxamide Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=NC(=CS2)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NC(=CS2)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H21N3O3S2/c1-27-19-9-5-8-17(20(19)28-2)22-25-18(14-30-22)21(26)24-10-11-29-13-16-7-4-3-6-15(16)12-23/h3-9,14H,10-11,13H2,1-2H3,(H,24,26)