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

Systemtic Name: 5-bromanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxy-benzamide Openeye Name: 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-methoxy-benzamide CAS Name: 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide IUPAC Name: 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide Traditional Name: 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-methoxy-benzamide Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O2S/c1-21(2,3)12-5-7-14-16(11-23)20(27-18(14)9-12)24-19(25)15-10-13(22)6-8-17(15)26-4/h6,8,10,12H,5,7,9H2,1-4H3,(H,24,25)