N-methyl-4-[[methyl-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]amino]methyl]benzamide

Systemtic Name: N-methyl-4-[[methyl-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]amino]methyl]benzamide Openeye Name: 4-[[[2-(2-benzylsulfanylethylamino)-2-oxo-ethyl]-methyl-amino]methyl]-N-methyl-benzamide CAS Name: N-methyl-4-[[methyl-[2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl]amino]methyl]benzamide IUPAC Name: 4-[[[2-(2-benzylsulfanylethylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[2-[2-(benzylthio)ethylamino]-2-keto-ethyl]-methyl-amino]methyl]-N-methyl-benzamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)CC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)CC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O2S/c1-22-21(26)19-10-8-17(9-11-19)14-24(2)15-20(25)23-12-13-27-16-18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3,(H,22,26)(H,23,25)