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

Systemtic Name: N-[4-[[4-(5-methylsulfanyl-2-oxidanyl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide hydrochloride Openeye Name: N-[4-[[4-(2-hydroxy-5-methylsulfanyl-benzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide hydrochloride CAS Name: N-[4-[[[4-[[2-hydroxy-5-(methylthio)phenyl]-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide hydrochloride IUPAC Name: N-[4-[[4-(2-hydroxy-5-methylsulfanylbenzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide hydrochloride Traditional Name: N-[4-[[4-[2-hydroxy-5-(methylthio)benzoyl]benzoyl]amino]azepan-3-yl]isonicotinamide hydrochloride Formula: C27H29ClN4O4S MolecularWeight: 541.06156

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O4S.ClH/c1-36-20-8-9-24(32)21(15-20)25(33)17-4-6-18(7-5-17)26(34)30-22-3-2-12-29-16-23(22)31-27(35)19-10-13-28-14-11-19;/h4-11,13-15,22-23,29,32H,2-3,12,16H2,1H3,(H,30,34)(H,31,35);1H