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

Systemtic Name: N-[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]acetamide CAS Name: N-[3-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[3-chloro-2-(4-propionylpiperazino)phenyl]acetamide Formula: C21H23Cl2N3O2S MolecularWeight: 452.39722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23Cl2N3O2S/c1-2-20(28)25-10-12-26(13-11-25)21-17(23)4-3-5-18(21)24-19(27)14-29-16-8-6-15(22)7-9-16/h3-9H,2,10-14H2,1H3,(H,24,27)