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

Systemtic Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S2/c1-12-7-8-14-15(10-20)18(26-16(14)9-12)22-19(25)21-17(23)11-24-13-5-3-2-4-6-13/h2-6,12H,7-9,11H2,1H3,(H2,21,22,23,25)/t12-/m0/s1