N-chloranyl-N-[1-oxidanylidene-1-[[2-oxidanylidene-2-(4-pyridin-4-ylsulfanylpiperidin-1-yl)ethyl]amino]-3-pyridin-2-yl-propan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-chloranyl-N-[1-oxidanylidene-1-[[2-oxidanylidene-2-(4-pyridin-4-ylsulfanylpiperidin-1-yl)ethyl]amino]-3-pyridin-2-yl-propan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-chloro-N-[2-oxo-2-[[2-oxo-2-[4-(4-pyridylsulfanyl)-1-piperidyl]ethyl]amino]-1-(2-pyridylmethyl)ethyl]benzofuran-2-carboxamide CAS Name: N-chloro-N-[1-oxo-1-[[2-oxo-2-[4-(pyridin-4-ylthio)-1-piperidinyl]ethyl]amino]-3-(2-pyridinyl)propan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-chloro-N-[1-oxo-1-[[2-oxo-2-(4-pyridin-4-ylsulfanylpiperidin-1-yl)ethyl]amino]-3-pyridin-2-ylpropan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-chloro-N-[2-keto-2-[[2-keto-2-[4-(4-pyridylthio)piperidino]ethyl]amino]-1-(2-pyridylmethyl)ethyl]coumarilamide Formula: C29H28ClN5O4S MolecularWeight: 578.08172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=CC=NC=C2)C(=O)CNC(=O)C(CC3=CC=CC=N3)N(C(=O)C4=CC5=CC=CC=C5O4)Cl

Isomeric SMILES

C1CN(CCC1SC2=CC=NC=C2)C(=O)CNC(=O)C(CC3=CC=CC=N3)N(C(=O)C4=CC5=CC=CC=C5O4)Cl

InChI

InChI=1S/C29H28ClN5O4S/c30-35(29(38)26-17-20-5-1-2-7-25(20)39-26)24(18-21-6-3-4-12-32-21)28(37)33-19-27(36)34-15-10-23(11-16-34)40-22-8-13-31-14-9-22/h1-9,12-14,17,23-24H,10-11,15-16,18-19H2,(H,33,37)