N-(4-methoxyphenyl)-1-[2-(4-phenyl-2-sulfanylidene-imidazolidin-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]cyclohexane-1-carboxamide

Systemtic Name: N-(4-methoxyphenyl)-1-[2-(4-phenyl-2-sulfanylidene-imidazolidin-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]cyclohexane-1-carboxamide Openeye Name: N-(4-methoxyphenyl)-1-[[2-(4-phenyl-2-thioxo-imidazolidin-1-yl)acetyl]-(3-pyridylmethyl)amino]cyclohexanecarboxamide CAS Name: N-(4-methoxyphenyl)-1-[[1-oxo-2-(4-phenyl-2-sulfanylidene-1-imidazolidinyl)ethyl]-(3-pyridinylmethyl)amino]-1-cyclohexanecarboxamide IUPAC Name: N-(4-methoxyphenyl)-1-[[2-(4-phenyl-2-sulfanylideneimidazolidin-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]cyclohexane-1-carboxamide Traditional Name: N-(4-methoxyphenyl)-1-[[2-(4-phenyl-2-thioxo-imidazolidin-1-yl)acetyl]-(3-pyridylmethyl)amino]cyclohexanecarboxamide Formula: C31H35N5O3S MolecularWeight: 557.7063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2(CCCCC2)N(CC3=CN=CC=C3)C(=O)CN4CC(NC4=S)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2(CCCCC2)N(CC3=CN=CC=C3)C(=O)CN4CC(NC4=S)C5=CC=CC=C5

InChI

InChI=1S/C31H35N5O3S/c1-39-26-14-12-25(13-15-26)33-29(38)31(16-6-3-7-17-31)36(20-23-9-8-18-32-19-23)28(37)22-35-21-27(34-30(35)40)24-10-4-2-5-11-24/h2,4-5,8-15,18-19,27H,3,6-7,16-17,20-22H2,1H3,(H,33,38)(H,34,40)