N-[(2S)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[(1S)-1-[(tert-butylcarbamothioylamino)carbamoyl]-3-methylsulfonyl-propyl]benzamide CAS Name: N-[(2S)-1-[[(tert-butylamino)-sulfanylidenemethyl]hydrazo]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[(1S)-1-[(tert-butylthiocarbamoylamino)carbamoyl]-3-mesyl-propyl]benzamide Formula: C17H26N4O4S2 MolecularWeight: 414.54274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C(CCS(=O)(=O)C)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)[C@H](CCS(=O)(=O)C)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H26N4O4S2/c1-17(2,3)19-16(26)21-20-15(23)13(10-11-27(4,24)25)18-14(22)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,18,22)(H,20,23)(H2,19,21,26)/t13-/m0/s1