N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-(4-ethylphenoxy)ethanamide

Systemtic Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-(4-ethylphenoxy)ethanamide Openeye Name: N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-(4-ethylphenoxy)acetamide CAS Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-2-(4-ethylphenoxy)acetamide IUPAC Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-(4-ethylphenoxy)acetamide Traditional Name: N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-(4-ethylphenoxy)acetamide Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NC2=C(C3=C(CC(CC3)C)C(=S)S2)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC2=C(C3=C(CC(CC3)C)C(=S)S2)C#N

InChI

InChI=1S/C21H22N2O2S2/c1-3-14-5-7-15(8-6-14)25-12-19(24)23-20-18(11-22)16-9-4-13(2)10-17(16)21(26)27-20/h5-8,13H,3-4,9-10,12H2,1-2H3,(H,23,24)