N-[(2S)-1-[2-[(4-fluorophenyl)carbamothioyl]hydrazinyl]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[2-[(4-fluorophenyl)carbamothioyl]hydrazinyl]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-[2-[(4-fluorophenyl)carbamothioyl]hydrazino]-1-methyl-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazo]-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-[2-[(4-fluorophenyl)carbamothioyl]hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-[N'-[(4-fluorophenyl)thiocarbamoyl]hydrazino]-2-keto-1-methyl-ethyl]adamantane-1-carboxamide Formula: C21H27FN4O2S MolecularWeight: 418.528083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC1=CC=C(C=C1)F)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NNC(=S)NC1=CC=C(C=C1)F)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27FN4O2S/c1-12(18(27)25-26-20(29)24-17-4-2-16(22)3-5-17)23-19(28)21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,12-15H,6-11H2,1H3,(H,23,28)(H,25,27)(H2,24,26,29)/t12-,13?,14?,15?,21?/m0/s1