N-[[4-(cyclohexylmethoxy)-3-fluoranyl-phenyl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[[4-(cyclohexylmethoxy)-3-fluoranyl-phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[4-(cyclohexylmethoxy)-3-fluoro-phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[4-(cyclohexylmethoxy)-3-fluoroanilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[4-(cyclohexylmethoxy)-3-fluorophenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[4-(cyclohexylmethoxy)-3-fluoro-phenyl]thiocarbamoyl]nicotinamide Formula: C20H22FN3O2S MolecularWeight: 387.470983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=C(C=C(C=C2)NC(=S)NC(=O)C3=CN=CC=C3)F

Isomeric SMILES

C1CCC(CC1)COC2=C(C=C(C=C2)NC(=S)NC(=O)C3=CN=CC=C3)F

InChI

InChI=1S/C20H22FN3O2S/c21-17-11-16(8-9-18(17)26-13-14-5-2-1-3-6-14)23-20(27)24-19(25)15-7-4-10-22-12-15/h4,7-12,14H,1-3,5-6,13H2,(H2,23,24,25,27)