2-bromanyl-N-(4-methyl-2-sulfanyl-phenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-bromanyl-N-(4-methyl-2-sulfanyl-phenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-bromo-N-(4-methyl-2-sulfanyl-phenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-bromo-N-(2-mercapto-4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-bromo-N-(4-methyl-2-sulfanylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-bromo-N-(2-mercapto-4-methyl-phenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C16H16BrNOS2 MolecularWeight: 382.33834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)Br)S

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)Br)S

InChI

InChI=1S/C16H16BrNOS2/c1-9-6-7-11(12(20)8-9)18-16(19)14-10-4-2-3-5-13(10)21-15(14)17/h6-8,20H,2-5H2,1H3,(H,18,19)