2-(1-adamantyl)-N-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(3-chloro-4-fluoro-phenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(3-chloro-4-fluorophenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]acetamide Formula: C19H22ClFN2OS MolecularWeight: 380.907183

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C19H22ClFN2OS/c20-15-6-14(1-2-16(15)21)22-18(25)23-17(24)10-19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,11-13H,3-5,7-10H2,(H2,22,23,24,25)