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

Systemtic Name: N-[2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]ethyl]-2-chloranyl-benzamide Openeye Name: N-[2-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]ethyl]-2-chloro-benzamide CAS Name: N-[2-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]ethyl]-2-chlorobenzamide IUPAC Name: N-[2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]ethyl]-2-chlorobenzamide Traditional Name: N-[2-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]ethyl]-2-chloro-benzamide Formula: C19H20BrClN2O2S MolecularWeight: 455.7963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NCCNC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NCCNC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C19H20BrClN2O2S/c1-12-10-17(13(2)9-15(12)20)26-11-18(24)22-7-8-23-19(25)14-5-3-4-6-16(14)21/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,24)(H,23,25)