N-[3-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-4-methyl-phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-4-methyl-phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]-4-methyl-phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-4-methylphenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]-4-methyl-phenyl]cyclopropanecarboxamide Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)CSC3=C(C=C(C(=C3)C)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)CSC3=C(C=C(C(=C3)C)Br)C

InChI

InChI=1S/C21H23BrN2O2S/c1-12-4-7-16(23-21(26)15-5-6-15)10-18(12)24-20(25)11-27-19-9-13(2)17(22)8-14(19)3/h4,7-10,15H,5-6,11H2,1-3H3,(H,23,26)(H,24,25)