N-[4-methylsulfanyl-1-oxidanylidene-1-(thiomorpholin-4-ylsulfonylamino)butan-2-yl]-2-phenyl-4-(pyridin-3-yloxymethyl)benzamide

Systemtic Name: N-[4-methylsulfanyl-1-oxidanylidene-1-(thiomorpholin-4-ylsulfonylamino)butan-2-yl]-2-phenyl-4-(pyridin-3-yloxymethyl)benzamide Openeye Name: N-[3-methylsulfanyl-1-(thiomorpholinosulfonylcarbamoyl)propyl]-2-phenyl-4-(3-pyridyloxymethyl)benzamide CAS Name: N-[4-(methylthio)-1-oxo-1-(thiomorpholin-4-ylsulfonylamino)butan-2-yl]-2-phenyl-4-(3-pyridinyloxymethyl)benzamide IUPAC Name: N-[4-methylsulfanyl-1-oxo-1-(thiomorpholin-4-ylsulfonylamino)butan-2-yl]-2-phenyl-4-(pyridin-3-yloxymethyl)benzamide Traditional Name: N-[3-(methylthio)-1-(thiomorpholinosulfonylcarbamoyl)propyl]-2-phenyl-4-(3-pyridyloxymethyl)benzamide Formula: C28H32N4O5S3 MolecularWeight: 600.77248

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NS(=O)(=O)N1CCSCC1)NC(=O)C2=C(C=C(C=C2)COC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSCCC(C(=O)NS(=O)(=O)N1CCSCC1)NC(=O)C2=C(C=C(C=C2)COC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H32N4O5S3/c1-38-15-11-26(28(34)31-40(35,36)32-13-16-39-17-14-32)30-27(33)24-10-9-21(20-37-23-8-5-12-29-19-23)18-25(24)22-6-3-2-4-7-22/h2-10,12,18-19,26H,11,13-17,20H2,1H3,(H,30,33)(H,31,34)