N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-methoxy-benzamide

Systemtic Name: N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-methoxy-benzamide Openeye Name: N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-2-methoxy-benzamide CAS Name: N-[[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-methoxybenzamide Traditional Name: N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-2-methoxy-benzamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3OC

InChI

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