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

Systemtic Name: 4-[[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl-cyclopropyl-amino]methyl]benzamide Openeye Name: 4-[[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]-cyclopropyl-amino]methyl]benzamide CAS Name: 4-[[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]-cyclopropylamino]methyl]benzamide IUPAC Name: 4-[[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]-cyclopropylamino]methyl]benzamide Traditional Name: 4-[[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]-cyclopropyl-amino]methyl]benzamide Formula: C20H21BrN2O2S MolecularWeight: 433.36194

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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)N)C3CC3

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O2S/c1-13-10-16(21)6-9-18(13)26-12-19(24)23(17-7-8-17)11-14-2-4-15(5-3-14)20(22)25/h2-6,9-10,17H,7-8,11-12H2,1H3,(H2,22,25)