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

Systemtic Name: 1-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[2-[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]thio]acetyl]-N-phenyl-nipecotamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)N3CCCC(C3)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)N3CCCC(C3)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C25H28N4O2S/c1-18-10-11-22(15-19(18)2)29-14-12-26-25(29)32-17-23(30)28-13-6-7-20(16-28)24(31)27-21-8-4-3-5-9-21/h3-5,8-12,14-15,20H,6-7,13,16-17H2,1-2H3,(H,27,31)