N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylamino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylcarbamothioyl]-4-fluorobenzamide Traditional Name: N-[[4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-cyclohexyl-thiocarbamoyl]-4-fluoro-benzamide Formula: C24H28FN3O4S MolecularWeight: 473.560223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(C2CCCCC2)C(=S)NC(=O)C3=CC=C(C=C3)F)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)CN(C2CCCCC2)C(=S)NC(=O)C3=CC=C(C=C3)F)OCC(=O)N

InChI

InChI=1S/C24H28FN3O4S/c1-31-21-13-16(7-12-20(21)32-15-22(26)29)14-28(19-5-3-2-4-6-19)24(33)27-23(30)17-8-10-18(25)11-9-17/h7-13,19H,2-6,14-15H2,1H3,(H2,26,29)(H,27,30,33)