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

Systemtic Name: N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3-chloranyl-benzamide Openeye Name: N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-3-chloro-benzamide CAS Name: N-[[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-3-chlorobenzamide IUPAC Name: N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3-chlorobenzamide Traditional Name: N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-3-chloro-benzamide Formula: C21H22ClN3OS2 MolecularWeight: 432.00188

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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=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3OS2/c1-21(2,3)13-7-8-15-16(11-23)19(28-17(15)10-13)25-20(27)24-18(26)12-5-4-6-14(22)9-12/h4-6,9,13H,7-8,10H2,1-3H3,(H2,24,25,26,27)