2-(4-chlorophenyl)sulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one Openeye Name: 2-(4-chlorophenyl)sulfanyl-1-[4-[(E)-cinnamyl]piperazin-1-yl]butan-1-one CAS Name: 2-[(4-chlorophenyl)thio]-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-1-butanone IUPAC Name: 2-(4-chlorophenyl)sulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one Traditional Name: 2-[(4-chlorophenyl)thio]-1-[4-[(E)-cinnamyl]piperazino]butan-1-one Formula: C23H27ClN2OS MolecularWeight: 414.99128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC=CC2=CC=CC=C2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H27ClN2OS/c1-2-22(28-21-12-10-20(24)11-13-21)23(27)26-17-15-25(16-18-26)14-6-9-19-7-4-3-5-8-19/h3-13,22H,2,14-18H2,1H3/b9-6+