N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]carbonylphenyl]-2-sulfanyl-propanamide

Systemtic Name: N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]carbonylphenyl]-2-sulfanyl-propanamide Openeye Name: N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-sulfanyl-propanamide CAS Name: N-[4-[[4-[2-(4-chlorophenyl)ethyl]-1-piperazinyl]-oxomethyl]phenyl]-2-mercaptopropanamide IUPAC Name: N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-sulfanylpropanamide Traditional Name: N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-mercapto-propionamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCC3=CC=C(C=C3)Cl)S

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCC3=CC=C(C=C3)Cl)S

InChI

InChI=1S/C22H26ClN3O2S/c1-16(29)21(27)24-20-8-4-18(5-9-20)22(28)26-14-12-25(13-15-26)11-10-17-2-6-19(23)7-3-17/h2-9,16,29H,10-15H2,1H3,(H,24,27)