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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S2/c1-12-6-5-8-16(13(12)2)25-11-18(24)22-20(26)23-19-15(10-21)14-7-3-4-9-17(14)27-19/h5-6,8H,3-4,7,9,11H2,1-2H3,(H2,22,23,24,26)