N-[4-cyano-3-[2-(3-methoxyphenyl)sulfanylethanoylamino]-1,2-thiazol-5-yl]-2-(3-methoxyphenyl)sulfanyl-ethanamide

Systemtic Name: N-[4-cyano-3-[2-(3-methoxyphenyl)sulfanylethanoylamino]-1,2-thiazol-5-yl]-2-(3-methoxyphenyl)sulfanyl-ethanamide Openeye Name: N-[4-cyano-3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]isothiazol-5-yl]-2-(3-methoxyphenyl)sulfanyl-acetamide CAS Name: N-[4-cyano-3-[[2-[(3-methoxyphenyl)thio]-1-oxoethyl]amino]-5-isothiazolyl]-2-[(3-methoxyphenyl)thio]acetamide IUPAC Name: N-[4-cyano-3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-1,2-thiazol-5-yl]-2-(3-methoxyphenyl)sulfanylacetamide Traditional Name: N-[4-cyano-3-[[2-[(3-methoxyphenyl)thio]acetyl]amino]isothiazol-5-yl]-2-[(3-methoxyphenyl)thio]acetamide Formula: C22H20N4O4S3 MolecularWeight: 500.6136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SCC(=O)NC2=C(C(=NS2)NC(=O)CSC3=CC=CC(=C3)OC)C#N

Isomeric SMILES

COC1=CC(=CC=C1)SCC(=O)NC2=C(C(=NS2)NC(=O)CSC3=CC=CC(=C3)OC)C#N

InChI

InChI=1S/C22H20N4O4S3/c1-29-14-5-3-7-16(9-14)31-12-19(27)24-21-18(11-23)22(33-26-21)25-20(28)13-32-17-8-4-6-15(10-17)30-2/h3-10H,12-13H2,1-2H3,(H,25,28)(H,24,26,27)