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

Systemtic Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-(3-methyl-4-propan-2-yl-phenoxy)ethanamide Openeye Name: N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-2-(4-isopropyl-3-methyl-phenoxy)acetamide CAS Name: N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide IUPAC Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide Traditional Name: N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-2-(4-isopropyl-3-methyl-phenoxy)acetamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S2/c1-13(2)16-9-8-15(10-14(16)3)27-12-20(26)24-22(28)25-21-18(11-23)17-6-4-5-7-19(17)29-21/h8-10,13H,4-7,12H2,1-3H3,(H2,24,25,26,28)