N-[3-[2-[(4-fluorophenyl)carbamothioyl]hydrazinyl]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[2-[(4-fluorophenyl)carbamothioyl]hydrazinyl]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[2-[(4-fluorophenyl)carbamothioyl]hydrazino]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazo]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[2-[(4-fluorophenyl)carbamothioyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-[N'-[(4-fluorophenyl)thiocarbamoyl]hydrazino]-3-keto-propyl]adamantane-1-carboxamide Formula: C21H27FN4O2S MolecularWeight: 418.528083

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)NNC(=S)NC4=CC=C(C=C4)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)NNC(=S)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H27FN4O2S/c22-16-1-3-17(4-2-16)24-20(29)26-25-18(27)5-6-23-19(28)21-10-13-7-14(11-21)9-15(8-13)12-21/h1-4,13-15H,5-12H2,(H,23,28)(H,25,27)(H2,24,26,29)