N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-2-(4-chlorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-2-[(4-chlorophenyl)thio]acetamide Formula: C22H25Cl2N3O2S MolecularWeight: 466.4238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25Cl2N3O2S/c1-2-3-22(29)27-12-10-26(11-13-27)20-9-6-17(14-19(20)24)25-21(28)15-30-18-7-4-16(23)5-8-18/h4-9,14H,2-3,10-13,15H2,1H3,(H,25,28)