2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-[3-chloro-4-(3-ketopiperazino)phenyl]acetamide Formula: C20H21BrClN3O2S MolecularWeight: 482.82164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl

InChI

InChI=1S/C20H21BrClN3O2S/c1-12-8-18(13(2)7-15(12)21)28-11-20(27)24-14-3-4-17(16(22)9-14)25-6-5-23-19(26)10-25/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,23,26)(H,24,27)