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

Systemtic Name: 3-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-N,2-dimethyl-benzamide Openeye Name: 3-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]-N,2-dimethyl-benzamide CAS Name: 3-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-N,2-dimethylbenzamide IUPAC Name: 3-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N,2-dimethylbenzamide Traditional Name: 3-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]-N,2-dimethyl-benzamide Formula: C19H21BrN2O2S MolecularWeight: 421.35124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC=CC(=C2C)C(=O)NC

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC=CC(=C2C)C(=O)NC

InChI

InChI=1S/C19H21BrN2O2S/c1-11-9-17(12(2)8-15(11)20)25-10-18(23)22-16-7-5-6-14(13(16)3)19(24)21-4/h5-9H,10H2,1-4H3,(H,21,24)(H,22,23)