ethyl 4-[4-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-2-fluoranyl-phenyl]-1-phenyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[4-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-2-fluoranyl-phenyl]-1-phenyl-cyclohexane-1-carboxylate Openeye Name: ethyl 4-[4-(benzofuran-2-carbonylcarbamothioylamino)-2-fluoro-phenyl]-1-phenyl-cyclohexanecarboxylate CAS Name: 4-[4-[[[[2-benzofuranyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-2-fluorophenyl]-1-phenyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1-benzofuran-2-carbonylcarbamothioylamino)-2-fluorophenyl]-1-phenylcyclohexane-1-carboxylate Traditional Name: 4-[4-(benzofuran-2-carbonylthiocarbamoylamino)-2-fluoro-phenyl]-1-phenyl-cyclohexanecarboxylic acid ethyl ester Formula: C31H29FN2O4S MolecularWeight: 544.636363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3)F)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1(CCC(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3)F)C5=CC=CC=C5

InChI

InChI=1S/C31H29FN2O4S/c1-2-37-29(36)31(22-9-4-3-5-10-22)16-14-20(15-17-31)24-13-12-23(19-25(24)32)33-30(39)34-28(35)27-18-21-8-6-7-11-26(21)38-27/h3-13,18-20H,2,14-17H2,1H3,(H2,33,34,35,39)