1-[4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]phenyl]carbonyl-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]phenyl]carbonyl-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[[4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]phenyl]-oxomethyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoyl]-N-phenyl-isonipecotamide Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O3S/c1-29-16-13-26-25(29)34-17-22(31)27-21-9-7-19(8-10-21)24(33)30-14-11-18(12-15-30)23(32)28-20-5-3-2-4-6-20/h2-10,13,16,18H,11-12,14-15,17H2,1H3,(H,27,31)(H,28,32)