4-[[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl-cyclopropyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl-cyclopropyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]-cyclopropyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]-cyclopropylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]-cyclopropylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]-cyclopropyl-amino]methyl]-N-methyl-benzamide Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)N(CC2=CC=C(C=C2)C(=O)NC)C3CC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N(CC2=CC=C(C=C2)C(=O)NC)C3CC3

InChI

InChI=1S/C21H23BrN2O2S/c1-14-11-17(22)7-10-19(14)27-13-20(25)24(18-8-9-18)12-15-3-5-16(6-4-15)21(26)23-2/h3-7,10-11,18H,8-9,12-13H2,1-2H3,(H,23,26)