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

Systemtic Name: N-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-4-(4-propylphenoxy)butanamide Openeye Name: N-(4-cyano-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-4-(4-propylphenoxy)butanamide CAS Name: N-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-4-(4-propylphenoxy)butanamide IUPAC Name: N-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-4-(4-propylphenoxy)butanamide Traditional Name: N-(4-cyano-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-4-(4-propylphenoxy)butyramide Formula: C23H26N2O2S2 MolecularWeight: 426.59474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCCCC(=O)NC2=C(C3=C(CCCC3)C(=S)S2)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)OCCCC(=O)NC2=C(C3=C(CCCC3)C(=S)S2)C#N

InChI

InChI=1S/C23H26N2O2S2/c1-2-6-16-10-12-17(13-11-16)27-14-5-9-21(26)25-22-20(15-24)18-7-3-4-8-19(18)23(28)29-22/h10-13H,2-9,14H2,1H3,(H,25,26)