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

Systemtic Name: 5-bromanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloranyl-benzamide Openeye Name: 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-chloro-benzamide CAS Name: 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chlorobenzamide IUPAC Name: 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chlorobenzamide Traditional Name: 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-chloro-benzamide Formula: C20H20BrClN2OS MolecularWeight: 451.8076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrClN2OS/c1-20(2,3)11-4-6-13-15(10-23)19(26-17(13)8-11)24-18(25)14-9-12(21)5-7-16(14)22/h5,7,9,11H,4,6,8H2,1-3H3,(H,24,25)