(2S)-2-[(4-methoxyphenyl)carbamothioylamino]-N'-oxidanyl-N-phenyl-octanediamide

Systemtic Name: (2S)-2-[(4-methoxyphenyl)carbamothioylamino]-N'-oxidanyl-N-phenyl-octanediamide Openeye Name: (2S)-8-(hydroxyamino)-2-[(4-methoxyphenyl)carbamothioylamino]-8-oxo-N-phenyl-octanamide CAS Name: (2S)-N'-hydroxy-2-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-N-phenyloctanediamide IUPAC Name: (2S)-N'-hydroxy-2-[(4-methoxyphenyl)carbamothioylamino]-N-phenyloctanediamide Traditional Name: (2S)-8-(hydroxyamino)-8-keto-2-[(4-methoxyphenyl)thiocarbamoylamino]-N-phenyl-caprylamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NC(CCCCCC(=O)NO)C(=O)NC2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N[C@@H](CCCCCC(=O)NO)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H28N4O4S/c1-30-18-14-12-17(13-15-18)24-22(31)25-19(10-6-3-7-11-20(27)26-29)21(28)23-16-8-4-2-5-9-16/h2,4-5,8-9,12-15,19,29H,3,6-7,10-11H2,1H3,(H,23,28)(H,26,27)(H2,24,25,31)/t19-/m0/s1