N-[(2S)-1-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-methyl-benzamide

Systemtic Name: N-[(2S)-1-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-methyl-benzamide Openeye Name: N-[(1S)-1-[[(4-fluorophenyl)methylcarbamothioylamino]carbamoyl]-2-methyl-propyl]-2-methyl-benzamide CAS Name: N-[(2S)-1-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]hydrazo]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide IUPAC Name: N-[(2S)-1-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide Traditional Name: N-[(1S)-1-[[(4-fluorobenzyl)thiocarbamoylamino]carbamoyl]-2-methyl-propyl]-2-methyl-benzamide Formula: C21H25FN4O2S MolecularWeight: 416.512203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)NNC(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)NNC(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C21H25FN4O2S/c1-13(2)18(24-19(27)17-7-5-4-6-14(17)3)20(28)25-26-21(29)23-12-15-8-10-16(22)11-9-15/h4-11,13,18H,12H2,1-3H3,(H,24,27)(H,25,28)(H2,23,26,29)/t18-/m0/s1