2-methoxy-N-[4-methylsulfanyl-1-oxidanylidene-1-[3-(2-oxidanylideneazepan-1-yl)propylamino]butan-2-yl]benzamide

Systemtic Name: 2-methoxy-N-[4-methylsulfanyl-1-oxidanylidene-1-[3-(2-oxidanylideneazepan-1-yl)propylamino]butan-2-yl]benzamide Openeye Name: 2-methoxy-N-[3-methylsulfanyl-1-[3-(2-oxoazepan-1-yl)propylcarbamoyl]propyl]benzamide CAS Name: 2-methoxy-N-[4-(methylthio)-1-oxo-1-[3-(2-oxo-1-azepanyl)propylamino]butan-2-yl]benzamide IUPAC Name: 2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[3-(2-oxoazepan-1-yl)propylamino]butan-2-yl]benzamide Traditional Name: N-[1-[3-(2-ketoazepan-1-yl)propylcarbamoyl]-3-(methylthio)propyl]-2-methoxy-benzamide Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCCCN2CCCCCC2=O

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCCCN2CCCCCC2=O

InChI

InChI=1S/C22H33N3O4S/c1-29-19-10-6-5-9-17(19)21(27)24-18(12-16-30-2)22(28)23-13-8-15-25-14-7-3-4-11-20(25)26/h5-6,9-10,18H,3-4,7-8,11-16H2,1-2H3,(H,23,28)(H,24,27)