(2S)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: (2S)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: (2S)-2-[[1-(2,4-dimethylphenyl)-2-imidazolyl]thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]thio]-1-(4-phenylpiperazino)propan-1-one Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CN=C2SC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CN=C2S[C@@H](C)C(=O)N3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H28N4OS/c1-18-9-10-22(19(2)17-18)28-12-11-25-24(28)30-20(3)23(29)27-15-13-26(14-16-27)21-7-5-4-6-8-21/h4-12,17,20H,13-16H2,1-3H3/t20-/m0/s1