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

Systemtic Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-(2,5-dimethylphenoxy)ethanamide Openeye Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide CAS Name: N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-2-(2,5-dimethylphenoxy)acetamide IUPAC Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide Traditional Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-2-(2,5-dimethylphenoxy)acetamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)COC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)COC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H23N3O2S2/c1-12-4-6-14(3)17(8-12)26-11-19(25)23-21(27)24-20-16(10-22)15-7-5-13(2)9-18(15)28-20/h4,6,8,13H,5,7,9,11H2,1-3H3,(H2,23,24,25,27)