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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)COC3=CC=CC(=C3)C

Isomeric SMILES

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)COC3=CC=CC(=C3)C

InChI

InChI=1S/C20H20N2O2S2/c1-12-4-3-5-14(8-12)24-11-18(23)22-19-17(10-21)15-7-6-13(2)9-16(15)20(25)26-19/h3-5,8,13H,6-7,9,11H2,1-2H3,(H,22,23)