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

Systemtic Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-(4-propylphenoxy)ethanamide Openeye Name: N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-(4-propylphenoxy)acetamide CAS Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-2-(4-propylphenoxy)acetamide IUPAC Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-(4-propylphenoxy)acetamide Traditional Name: N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-(4-propylphenoxy)acetamide Formula: C22H24N2O2S2 MolecularWeight: 412.56816

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC(=O)NC2=C(C3=C(CC(CC3)C)C(=S)S2)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)OCC(=O)NC2=C(C3=C(CC(CC3)C)C(=S)S2)C#N

InChI

InChI=1S/C22H24N2O2S2/c1-3-4-15-6-8-16(9-7-15)26-13-20(25)24-21-19(12-23)17-10-5-14(2)11-18(17)22(27)28-21/h6-9,14H,3-5,10-11,13H2,1-2H3,(H,24,25)