N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide

Systemtic Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide Openeye Name: N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-4-[4-(1,1-dimethylpropyl)phenoxy]butanamide CAS Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide IUPAC Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide Traditional Name: 4-(4-tert-amylphenoxy)-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)butyramide Formula: C26H32N2O2S2 MolecularWeight: 468.67448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=C(C3=C(CC(CC3)C)C(=S)S2)C#N

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=C(C3=C(CC(CC3)C)C(=S)S2)C#N

InChI

InChI=1S/C26H32N2O2S2/c1-5-26(3,4)18-9-11-19(12-10-18)30-14-6-7-23(29)28-24-22(16-27)20-13-8-17(2)15-21(20)25(31)32-24/h9-12,17H,5-8,13-15H2,1-4H3,(H,28,29)