4-fluoranyl-N-[3-methyl-1-oxidanylidene-1-[2-[(phenylmethyl)carbamothioyl]hydrazinyl]butan-2-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[3-methyl-1-oxidanylidene-1-[2-[(phenylmethyl)carbamothioyl]hydrazinyl]butan-2-yl]benzamide Openeye Name: N-[1-[(benzylcarbamothioylamino)carbamoyl]-2-methyl-propyl]-4-fluoro-benzamide CAS Name: 4-fluoro-N-[3-methyl-1-oxo-1-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazo]butan-2-yl]benzamide IUPAC Name: N-[1-[2-(benzylcarbamothioyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide Traditional Name: N-[1-[(benzylthiocarbamoylamino)carbamoyl]-2-methyl-propyl]-4-fluoro-benzamide Formula: C20H23FN4O2S MolecularWeight: 402.485623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NNC(=S)NCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)C(C(=O)NNC(=S)NCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H23FN4O2S/c1-13(2)17(23-18(26)15-8-10-16(21)11-9-15)19(27)24-25-20(28)22-12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,23,26)(H,24,27)(H2,22,25,28)