2,2-dimethyl-N-[2-[[3-(4-phenylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]phenyl]propanamide

Systemtic Name: 2,2-dimethyl-N-[2-[[3-(4-phenylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]phenyl]propanamide Openeye Name: 2,2-dimethyl-N-[2-[[3-(4-phenylpiperazine-1-carbonyl)phenyl]methylsulfanyl]phenyl]propanamide CAS Name: 2,2-dimethyl-N-[2-[[3-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]methylthio]phenyl]propanamide IUPAC Name: 2,2-dimethyl-N-[2-[[3-(4-phenylpiperazine-1-carbonyl)phenyl]methylsulfanyl]phenyl]propanamide Traditional Name: 2,2-dimethyl-N-[2-[[3-(4-phenylpiperazine-1-carbonyl)benzyl]thio]phenyl]propionamide Formula: C29H33N3O2S MolecularWeight: 487.65622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC=C1SCC2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC=C1SCC2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C29H33N3O2S/c1-29(2,3)28(34)30-25-14-7-8-15-26(25)35-21-22-10-9-11-23(20-22)27(33)32-18-16-31(17-19-32)24-12-5-4-6-13-24/h4-15,20H,16-19,21H2,1-3H3,(H,30,34)