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

Systemtic Name: N-(4-dimethylaminophenyl)-1-[2-(4-phenyl-2-sulfanylidene-imidazolidin-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]cyclopentane-1-carboxamide Openeye Name: N-(4-dimethylaminophenyl)-1-[[2-(4-phenyl-2-thioxo-imidazolidin-1-yl)acetyl]-(3-pyridylmethyl)amino]cyclopentanecarboxamide CAS Name: N-(4-dimethylaminophenyl)-1-[[1-oxo-2-(4-phenyl-2-sulfanylidene-1-imidazolidinyl)ethyl]-(3-pyridinylmethyl)amino]-1-cyclopentanecarboxamide IUPAC Name: N-(4-dimethylaminophenyl)-1-[[2-(4-phenyl-2-sulfanylideneimidazolidin-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]cyclopentane-1-carboxamide Traditional Name: N-(4-dimethylaminophenyl)-1-[[2-(4-phenyl-2-thioxo-imidazolidin-1-yl)acetyl]-(3-pyridylmethyl)amino]cyclopentanecarboxamide Formula: C31H36N6O2S MolecularWeight: 556.72154

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)C2(CCCC2)N(CC3=CN=CC=C3)C(=O)CN4CC(NC4=S)C5=CC=CC=C5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)C2(CCCC2)N(CC3=CN=CC=C3)C(=O)CN4CC(NC4=S)C5=CC=CC=C5

InChI

InChI=1S/C31H36N6O2S/c1-35(2)26-14-12-25(13-15-26)33-29(39)31(16-6-7-17-31)37(20-23-9-8-18-32-19-23)28(38)22-36-21-27(34-30(36)40)24-10-4-3-5-11-24/h3-5,8-15,18-19,27H,6-7,16-17,20-22H2,1-2H3,(H,33,39)(H,34,40)