N-[(5-tert-butyl-3-cyano-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)carbamothioyl]benzamide

Systemtic Name: N-[(5-tert-butyl-3-cyano-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)carbamothioyl]benzamide Openeye Name: N-[(5-tert-butyl-3-cyano-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)carbamothioyl]benzamide CAS Name: N-[[(5-tert-butyl-3-cyano-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(5-tert-butyl-3-cyano-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)carbamothioyl]benzamide Traditional Name: N-[(5-tert-butyl-3-cyano-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)thiocarbamoyl]benzamide Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)N1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C20H22N4OS2/c1-20(2,3)24-10-9-16-15(12-24)14(11-21)18(27-16)23-19(26)22-17(25)13-7-5-4-6-8-13/h4-8H,9-10,12H2,1-3H3,(H2,22,23,25,26)