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

Systemtic Name: 4-[[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl-cyclopropyl-amino]methyl]-N-cyclopropyl-benzamide Openeye Name: 4-[[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]-cyclopropyl-amino]methyl]-N-cyclopropyl-benzamide CAS Name: 4-[[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide Traditional Name: 4-[[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]-cyclopropyl-amino]methyl]-N-cyclopropyl-benzamide Formula: C24H27BrN2O2S MolecularWeight: 487.45238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N(CC2=CC=C(C=C2)C(=O)NC3CC3)C4CC4

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N(CC2=CC=C(C=C2)C(=O)NC3CC3)C4CC4

InChI

InChI=1S/C24H27BrN2O2S/c1-15-12-22(16(2)11-21(15)25)30-14-23(28)27(20-9-10-20)13-17-3-5-18(6-4-17)24(29)26-19-7-8-19/h3-6,11-12,19-20H,7-10,13-14H2,1-2H3,(H,26,29)