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

Systemtic Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-4-(3-methyl-4-propan-2-yl-phenoxy)butanamide Openeye Name: N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-4-(4-isopropyl-3-methyl-phenoxy)butanamide CAS Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide IUPAC Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide Traditional Name: N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-4-(4-isopropyl-3-methyl-phenoxy)butyramide Formula: C25H30N2O2S2 MolecularWeight: 454.6479

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)CCCOC3=CC(=C(C=C3)C(C)C)C

Isomeric SMILES

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)CCCOC3=CC(=C(C=C3)C(C)C)C

InChI

InChI=1S/C25H30N2O2S2/c1-15(2)19-10-8-18(13-17(19)4)29-11-5-6-23(28)27-24-22(14-26)20-9-7-16(3)12-21(20)25(30)31-24/h8,10,13,15-16H,5-7,9,11-12H2,1-4H3,(H,27,28)