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

Systemtic Name: N-(4-dimethylaminophenyl)-4-[2-(4-phenyl-2-sulfanylidene-imidazolidin-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]thiane-4-carboxamide Openeye Name: N-(4-dimethylaminophenyl)-4-[[2-(4-phenyl-2-thioxo-imidazolidin-1-yl)acetyl]-(3-pyridylmethyl)amino]tetrahydrothiopyran-4-carboxamide CAS Name: N-(4-dimethylaminophenyl)-4-[[1-oxo-2-(4-phenyl-2-sulfanylidene-1-imidazolidinyl)ethyl]-(3-pyridinylmethyl)amino]-4-thianecarboxamide IUPAC Name: N-(4-dimethylaminophenyl)-4-[[2-(4-phenyl-2-sulfanylideneimidazolidin-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]thiane-4-carboxamide Traditional Name: N-(4-dimethylaminophenyl)-4-[[2-(4-phenyl-2-thioxo-imidazolidin-1-yl)acetyl]-(3-pyridylmethyl)amino]tetrahydrothiopyran-4-carboxamide Formula: C31H36N6O2S2 MolecularWeight: 588.78654

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)C2(CCSCC2)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(CCSCC2)N(CC3=CN=CC=C3)C(=O)CN4CC(NC4=S)C5=CC=CC=C5

InChI

InChI=1S/C31H36N6O2S2/c1-35(2)26-12-10-25(11-13-26)33-29(39)31(14-17-41-18-15-31)37(20-23-7-6-16-32-19-23)28(38)22-36-21-27(34-30(36)40)24-8-4-3-5-9-24/h3-13,16,19,27H,14-15,17-18,20-22H2,1-2H3,(H,33,39)(H,34,40)