2-azanyl-N-[4-[[4-(5-methylsulfanyl-2-oxidanyl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide

Systemtic Name: 2-azanyl-N-[4-[[4-(5-methylsulfanyl-2-oxidanyl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide Openeye Name: 2-amino-N-[4-[[4-(2-hydroxy-5-methylsulfanyl-benzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide CAS Name: 2-amino-N-[4-[[[4-[[2-hydroxy-5-(methylthio)phenyl]-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide IUPAC Name: 2-amino-N-[4-[[4-(2-hydroxy-5-methylsulfanylbenzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide Traditional Name: 2-amino-N-[4-[[4-[2-hydroxy-5-(methylthio)benzoyl]benzoyl]amino]azepan-3-yl]isonicotinamide Formula: C27H29N5O4S MolecularWeight: 519.61526

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)NC3CCCNCC3NC(=O)C4=CC(=NC=C4)N

Isomeric SMILES

CSC1=CC(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)NC3CCCNCC3NC(=O)C4=CC(=NC=C4)N

InChI

InChI=1S/C27H29N5O4S/c1-37-19-8-9-23(33)20(14-19)25(34)16-4-6-17(7-5-16)26(35)31-21-3-2-11-29-15-22(21)32-27(36)18-10-12-30-24(28)13-18/h4-10,12-14,21-22,29,33H,2-3,11,15H2,1H3,(H2,28,30)(H,31,35)(H,32,36)