N-(4-methoxyphenyl)-4-[(phenylmethyl)-[2-(4-phenyl-2-sulfanylidene-imidazolidin-1-yl)ethanoyl]amino]thiane-4-carboxamide

Systemtic Name: N-(4-methoxyphenyl)-4-[(phenylmethyl)-[2-(4-phenyl-2-sulfanylidene-imidazolidin-1-yl)ethanoyl]amino]thiane-4-carboxamide Openeye Name: 4-[benzyl-[2-(4-phenyl-2-thioxo-imidazolidin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)tetrahydrothiopyran-4-carboxamide CAS Name: N-(4-methoxyphenyl)-4-[[1-oxo-2-(4-phenyl-2-sulfanylidene-1-imidazolidinyl)ethyl]-(phenylmethyl)amino]-4-thianecarboxamide IUPAC Name: 4-[benzyl-[2-(4-phenyl-2-sulfanylideneimidazolidin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)thiane-4-carboxamide Traditional Name: 4-[benzyl-[2-(4-phenyl-2-thioxo-imidazolidin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)tetrahydrothiopyran-4-carboxamide Formula: C31H34N4O3S2 MolecularWeight: 574.75666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H34N4O3S2/c1-38-26-14-12-25(13-15-26)32-29(37)31(16-18-40-19-17-31)35(20-23-8-4-2-5-9-23)28(36)22-34-21-27(33-30(34)39)24-10-6-3-7-11-24/h2-15,27H,16-22H2,1H3,(H,32,37)(H,33,39)