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

Systemtic Name: 2-(4-bromanylphenoxy)-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)ethanamide Openeye Name: 2-(4-bromophenoxy)-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)acetamide CAS Name: 2-(4-bromophenoxy)-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)acetamide IUPAC Name: 2-(4-bromophenoxy)-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)acetamide Traditional Name: 2-(4-bromophenoxy)-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)acetamide Formula: C19H17BrN2O2S2 MolecularWeight: 449.38448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN2O2S2/c1-11-2-7-14-15(8-11)19(25)26-18(16(14)9-21)22-17(23)10-24-13-5-3-12(20)4-6-13/h3-6,11H,2,7-8,10H2,1H3,(H,22,23)