2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-[4-(morpholinomethyl)phenyl]acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-[4-(4-morpholinylmethyl)phenyl]acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-[4-(morpholinomethyl)phenyl]acetamide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC=C(C=C2)CN3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC=C(C=C2)CN3CCOCC3

InChI

InChI=1S/C21H25BrN2O2S/c1-15-12-20(16(2)11-19(15)22)27-14-21(25)23-18-5-3-17(4-6-18)13-24-7-9-26-10-8-24/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,23,25)