N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-(2,5-dimethylphenoxy)ethanamide

Systemtic Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-(2,5-dimethylphenoxy)ethanamide Openeye Name: N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide CAS Name: N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-2-(2,5-dimethylphenoxy)acetamide IUPAC Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide Traditional Name: N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-2-(2,5-dimethylphenoxy)acetamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C20H21N3O2S2/c1-12-7-8-13(2)16(9-12)25-11-18(24)22-20(26)23-19-15(10-21)14-5-3-4-6-17(14)27-19/h7-9H,3-6,11H2,1-2H3,(H2,22,23,24,26)