N-[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-phenylsulfanyl-acetamide CAS Name: N-[3-chloro-4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]phenyl]-2-(phenylthio)acetamide IUPAC Name: N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-phenylsulfanylacetamide Traditional Name: N-[3-chloro-4-(4-pivaloylpiperazino)phenyl]-2-(phenylthio)acetamide Formula: C23H28ClN3O2S MolecularWeight: 446.00532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CSC3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CSC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H28ClN3O2S/c1-23(2,3)22(29)27-13-11-26(12-14-27)20-10-9-17(15-19(20)24)25-21(28)16-30-18-7-5-4-6-8-18/h4-10,15H,11-14,16H2,1-3H3,(H,25,28)