N-(2,6-dimethylphenyl)-2-[4-[(E)-3-phenylsulfanylprop-2-enoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(E)-3-phenylsulfanylprop-2-enoyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[(E)-3-phenylsulfanylprop-2-enoyl]piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(E)-1-oxo-3-(phenylthio)prop-2-enyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(E)-3-phenylsulfanylprop-2-enoyl]piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[(E)-3-(phenylthio)acryloyl]piperazino]acetamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)C=CSC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)/C=C/SC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2S/c1-18-7-6-8-19(2)23(18)24-21(27)17-25-12-14-26(15-13-25)22(28)11-16-29-20-9-4-3-5-10-20/h3-11,16H,12-15,17H2,1-2H3,(H,24,27)/b16-11+