2-[4-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazin-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[4-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]-1-piperazinyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazin-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[4-[[(4-chlorophenyl)thio]methyl]benzoyl]piperazino]-N-cyclopropyl-acetamide Formula: C23H26ClN3O2S MolecularWeight: 443.98944

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC1NC(=O)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H26ClN3O2S/c24-19-5-9-21(10-6-19)30-16-17-1-3-18(4-2-17)23(29)27-13-11-26(12-14-27)15-22(28)25-20-7-8-20/h1-6,9-10,20H,7-8,11-16H2,(H,25,28)