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

Systemtic Name: N-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-(2,5-dimethylphenoxy)ethanamide Openeye Name: N-(4-cyano-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-(2,5-dimethylphenoxy)acetamide CAS Name: N-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-2-(2,5-dimethylphenoxy)acetamide IUPAC Name: N-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-(2,5-dimethylphenoxy)acetamide Traditional Name: N-(4-cyano-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-(2,5-dimethylphenoxy)acetamide Formula: C20H20N2O2S2 MolecularWeight: 384.515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(=O)NC2=C(C3=C(CCCC3)C(=S)S2)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)NC2=C(C3=C(CCCC3)C(=S)S2)C#N

InChI

InChI=1S/C20H20N2O2S2/c1-12-7-8-13(2)17(9-12)24-11-18(23)22-19-16(10-21)14-5-3-4-6-15(14)20(25)26-19/h7-9H,3-6,11H2,1-2H3,(H,22,23)