4-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]acetyl]-N-phenyl-piperazine-1-carboxamide Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C24H27N5O2S/c1-18-14-19(2)16-21(15-18)29-9-8-25-24(29)32-17-22(30)27-10-12-28(13-11-27)23(31)26-20-6-4-3-5-7-20/h3-9,14-16H,10-13,17H2,1-2H3,(H,26,31)