N-oxidanyl-5-[[(2S)-3-phenyl-2-(pyridin-4-ylmethylcarbamoylamino)propanoyl]amino]-1-benzothiophene-2-carboxamide

Systemtic Name: N-oxidanyl-5-[[(2S)-3-phenyl-2-(pyridin-4-ylmethylcarbamoylamino)propanoyl]amino]-1-benzothiophene-2-carboxamide Openeye Name: (2S)-N-[2-(hydroxycarbamoyl)benzothiophen-5-yl]-3-phenyl-2-(4-pyridylmethylcarbamoylamino)propanamide CAS Name: N-hydroxy-5-[[(2S)-1-oxo-2-[[oxo-(pyridin-4-ylmethylamino)methyl]amino]-3-phenylpropyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-hydroxy-5-[[(2S)-3-phenyl-2-(pyridin-4-ylmethylcarbamoylamino)propanoyl]amino]-1-benzothiophene-2-carboxamide Traditional Name: (2S)-N-[2-(hydroxycarbamoyl)benzothiophen-5-yl]-3-phenyl-2-(4-pyridylmethylcarbamoylamino)propionamide Formula: C25H23N5O4S MolecularWeight: 489.54622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)NO)NC(=O)NCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)NO)NC(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C25H23N5O4S/c31-23(28-19-6-7-21-18(13-19)14-22(35-21)24(32)30-34)20(12-16-4-2-1-3-5-16)29-25(33)27-15-17-8-10-26-11-9-17/h1-11,13-14,20,34H,12,15H2,(H,28,31)(H,30,32)(H2,27,29,33)/t20-/m0/s1