N-[(2S)-1-oxidanylidene-1-[2-(pentylcarbamothioyl)hydrazinyl]-3-phenyl-propan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-oxidanylidene-1-[2-(pentylcarbamothioyl)hydrazinyl]-3-phenyl-propan-2-yl]benzamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-2-[2-(pentylcarbamothioyl)hydrazino]ethyl]benzamide CAS Name: N-[(2S)-1-oxo-1-[[(pentylamino)-sulfanylidenemethyl]hydrazo]-3-phenylpropan-2-yl]benzamide IUPAC Name: N-[(2S)-1-oxo-1-[2-(pentylcarbamothioyl)hydrazinyl]-3-phenylpropan-2-yl]benzamide Traditional Name: N-[(1S)-2-[N'-(amylthiocarbamoyl)hydrazino]-1-benzyl-2-keto-ethyl]benzamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCNC(=S)NNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H28N4O2S/c1-2-3-10-15-23-22(29)26-25-21(28)19(16-17-11-6-4-7-12-17)24-20(27)18-13-8-5-9-14-18/h4-9,11-14,19H,2-3,10,15-16H2,1H3,(H,24,27)(H,25,28)(H2,23,26,29)/t19-/m0/s1