5-[[(2S)-2-(butanoylamino)-3-phenyl-propanoyl]amino]-N-oxidanyl-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[[(2S)-2-(butanoylamino)-3-phenyl-propanoyl]amino]-N-oxidanyl-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-[[2-(hydroxycarbamoyl)benzothiophen-5-yl]amino]-2-oxo-ethyl]butanamide CAS Name: N-hydroxy-5-[[(2S)-1-oxo-2-(1-oxobutylamino)-3-phenylpropyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: 5-[[(2S)-2-(butanoylamino)-3-phenylpropanoyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-[[2-(hydroxycarbamoyl)benzothiophen-5-yl]amino]-2-keto-ethyl]butyramide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)NO

Isomeric SMILES

CCCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)NO

InChI

InChI=1S/C22H23N3O4S/c1-2-6-20(26)24-17(11-14-7-4-3-5-8-14)21(27)23-16-9-10-18-15(12-16)13-19(30-18)22(28)25-29/h3-5,7-10,12-13,17,29H,2,6,11H2,1H3,(H,23,27)(H,24,26)(H,25,28)/t17-/m0/s1