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

Systemtic Name: 4-[[[(2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: N-methyl-4-[[methyl-[(2S)-4-methylsulfanyl-2-ureido-butanoyl]amino]methyl]benzamide CAS Name: 4-[[[(2S)-2-(carbamoylamino)-4-(methylthio)-1-oxobutyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[(2S)-2-(carbamoylamino)-4-methylsulfanylbutanoyl]-methylamino]methyl]-N-methylbenzamide Traditional Name: N-methyl-4-[[methyl-[(2S)-4-(methylthio)-2-ureido-butanoyl]amino]methyl]benzamide Formula: C16H24N4O3S MolecularWeight: 352.45176

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O3S/c1-18-14(21)12-6-4-11(5-7-12)10-20(2)15(22)13(8-9-24-3)19-16(17)23/h4-7,13H,8-10H2,1-3H3,(H,18,21)(H3,17,19,23)/t13-/m0/s1