4-[[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl-methyl-amino]methyl]-N-cyclopropyl-benzamide

Systemtic Name: 4-[[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl-methyl-amino]methyl]-N-cyclopropyl-benzamide Openeye Name: 4-[[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]-methyl-amino]methyl]-N-cyclopropyl-benzamide CAS Name: 4-[[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]-methylamino]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]-methylamino]methyl]-N-cyclopropylbenzamide Traditional Name: 4-[[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]-methyl-amino]methyl]-N-cyclopropyl-benzamide Formula: C22H25BrN2O2S MolecularWeight: 461.4151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N(C)CC2=CC=C(C=C2)C(=O)NC3CC3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N(C)CC2=CC=C(C=C2)C(=O)NC3CC3

InChI

InChI=1S/C22H25BrN2O2S/c1-14-11-20(15(2)10-19(14)23)28-13-21(26)25(3)12-16-4-6-17(7-5-16)22(27)24-18-8-9-18/h4-7,10-11,18H,8-9,12-13H2,1-3H3,(H,24,27)