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

Systemtic Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-(4-methylphenoxy)butanamide Openeye Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-4-(4-methylphenoxy)butanamide CAS Name: N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-4-(4-methylphenoxy)butanamide IUPAC Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-(4-methylphenoxy)butanamide Traditional Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-4-(4-methylphenoxy)butyramide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)CCCOC3=CC=C(C=C3)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)CCCOC3=CC=C(C=C3)C

InChI

InChI=1S/C22H25N3O2S2/c1-14-5-8-16(9-6-14)27-11-3-4-20(26)24-22(28)25-21-18(13-23)17-10-7-15(2)12-19(17)29-21/h5-6,8-9,15H,3-4,7,10-12H2,1-2H3,(H2,24,25,26,28)