4-[[[(2S)-2-benzamido-4-methylsulfanyl-butanoyl]-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[[(2S)-2-benzamido-4-methylsulfanyl-butanoyl]-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[(2S)-2-benzamido-4-methylsulfanyl-butanoyl]-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[(2S)-2-benzamido-4-(methylthio)-1-oxobutyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[(2S)-2-benzamido-4-methylsulfanylbutanoyl]-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[(2S)-2-benzamido-4-(methylthio)butanoyl]-methyl-amino]methyl]-N-methyl-benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H27N3O3S/c1-23-20(26)18-11-9-16(10-12-18)15-25(2)22(28)19(13-14-29-3)24-21(27)17-7-5-4-6-8-17/h4-12,19H,13-15H2,1-3H3,(H,23,26)(H,24,27)/t19-/m0/s1