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

Systemtic Name: N-(2,4-dimethoxyphenyl)-4-[2-(4-phenyl-2-sulfanylidene-imidazolidin-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]thiane-4-carboxamide Openeye Name: N-(2,4-dimethoxyphenyl)-4-[[2-(4-phenyl-2-thioxo-imidazolidin-1-yl)acetyl]-(3-pyridylmethyl)amino]tetrahydrothiopyran-4-carboxamide CAS Name: N-(2,4-dimethoxyphenyl)-4-[[1-oxo-2-(4-phenyl-2-sulfanylidene-1-imidazolidinyl)ethyl]-(3-pyridinylmethyl)amino]-4-thianecarboxamide IUPAC Name: N-(2,4-dimethoxyphenyl)-4-[[2-(4-phenyl-2-sulfanylideneimidazolidin-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]thiane-4-carboxamide Traditional Name: N-(2,4-dimethoxyphenyl)-4-[[2-(4-phenyl-2-thioxo-imidazolidin-1-yl)acetyl]-(3-pyridylmethyl)amino]tetrahydrothiopyran-4-carboxamide Formula: C31H35N5O4S2 MolecularWeight: 605.7707

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2(CCSCC2)N(CC3=CN=CC=C3)C(=O)CN4CC(NC4=S)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2(CCSCC2)N(CC3=CN=CC=C3)C(=O)CN4CC(NC4=S)C5=CC=CC=C5)OC

InChI

InChI=1S/C31H35N5O4S2/c1-39-24-10-11-25(27(17-24)40-2)33-29(38)31(12-15-42-16-13-31)36(19-22-7-6-14-32-18-22)28(37)21-35-20-26(34-30(35)41)23-8-4-3-5-9-23/h3-11,14,17-18,26H,12-13,15-16,19-21H2,1-2H3,(H,33,38)(H,34,41)