(2S)-N'-oxidanyl-N-phenyl-2-(phenylcarbamothioylamino)octanediamide

Systemtic Name: (2S)-N'-oxidanyl-N-phenyl-2-(phenylcarbamothioylamino)octanediamide Openeye Name: (2S)-8-(hydroxyamino)-8-oxo-N-phenyl-2-(phenylcarbamothioylamino)octanamide CAS Name: (2S)-2-[[anilino(sulfanylidene)methyl]amino]-N'-hydroxy-N-phenyloctanediamide IUPAC Name: (2S)-N'-hydroxy-N-phenyl-2-(phenylcarbamothioylamino)octanediamide Traditional Name: (2S)-8-(hydroxyamino)-8-keto-N-phenyl-2-(phenylthiocarbamoylamino)caprylamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(CCCCCC(=O)NO)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)[C@H](CCCCCC(=O)NO)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C21H26N4O3S/c26-19(25-28)15-9-3-8-14-18(20(27)22-16-10-4-1-5-11-16)24-21(29)23-17-12-6-2-7-13-17/h1-2,4-7,10-13,18,28H,3,8-9,14-15H2,(H,22,27)(H,25,26)(H2,23,24,29)/t18-/m0/s1