2-methyl-N-[4-[[2-(phenylmethylsulfanyl)ethylcarbamoylamino]methyl]phenyl]propanamide

Systemtic Name: 2-methyl-N-[4-[[2-(phenylmethylsulfanyl)ethylcarbamoylamino]methyl]phenyl]propanamide Openeye Name: N-[4-[(2-benzylsulfanylethylcarbamoylamino)methyl]phenyl]-2-methyl-propanamide CAS Name: 2-methyl-N-[4-[[[oxo-[2-(phenylmethylthio)ethylamino]methyl]amino]methyl]phenyl]propanamide IUPAC Name: N-[4-[(2-benzylsulfanylethylcarbamoylamino)methyl]phenyl]-2-methylpropanamide Traditional Name: N-[4-[[2-(benzylthio)ethylcarbamoylamino]methyl]phenyl]-2-methyl-propionamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)CNC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)CNC(=O)NCCSCC2=CC=CC=C2

InChI

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