2-chloranyl-N-methyl-N-[4-[4-[2-(4-methyl-2-sulfanyl-phenyl)ethyl]piperazin-1-yl]carbonylphenyl]ethanamide

Systemtic Name: 2-chloranyl-N-methyl-N-[4-[4-[2-(4-methyl-2-sulfanyl-phenyl)ethyl]piperazin-1-yl]carbonylphenyl]ethanamide Openeye Name: 2-chloro-N-methyl-N-[4-[4-[2-(4-methyl-2-sulfanyl-phenyl)ethyl]piperazine-1-carbonyl]phenyl]acetamide CAS Name: 2-chloro-N-[4-[[4-[2-(2-mercapto-4-methylphenyl)ethyl]-1-piperazinyl]-oxomethyl]phenyl]-N-methylacetamide IUPAC Name: 2-chloro-N-methyl-N-[4-[4-[2-(4-methyl-2-sulfanylphenyl)ethyl]piperazine-1-carbonyl]phenyl]acetamide Traditional Name: 2-chloro-N-[4-[4-[2-(2-mercapto-4-methyl-phenyl)ethyl]piperazine-1-carbonyl]phenyl]-N-methyl-acetamide Formula: C23H28ClN3O2S MolecularWeight: 446.00532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCN2CCN(CC2)C(=O)C3=CC=C(C=C3)N(C)C(=O)CCl)S

Isomeric SMILES

CC1=CC(=C(C=C1)CCN2CCN(CC2)C(=O)C3=CC=C(C=C3)N(C)C(=O)CCl)S

InChI

InChI=1S/C23H28ClN3O2S/c1-17-3-4-18(21(30)15-17)9-10-26-11-13-27(14-12-26)23(29)19-5-7-20(8-6-19)25(2)22(28)16-24/h3-8,15,30H,9-14,16H2,1-2H3