4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide Openeye Name: 4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzamide CAS Name: 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(3-pyridinylmethylthio)phenyl]benzamide IUPAC Name: 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide Traditional Name: 4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-N-[4-(3-pyridylmethylthio)phenyl]benzamide Formula: C22H20ClN3O4S MolecularWeight: 457.9299

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)Cl)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)Cl)OCC(=O)N

InChI

InChI=1S/C22H20ClN3O4S/c1-29-19-10-15(9-18(23)21(19)30-12-20(24)27)22(28)26-16-4-6-17(7-5-16)31-13-14-3-2-8-25-11-14/h2-11H,12-13H2,1H3,(H2,24,27)(H,26,28)