(2R)-2-(aminocarbonylamino)-4-methylsulfanyl-N-(3-methylsulfonylphenyl)butanamide

Systemtic Name: (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-N-(3-methylsulfonylphenyl)butanamide Openeye Name: (2R)-4-methylsulfanyl-N-(3-methylsulfonylphenyl)-2-ureido-butanamide CAS Name: (2R)-2-(carbamoylamino)-N-(3-methylsulfonylphenyl)-4-(methylthio)butanamide IUPAC Name: (2R)-2-(carbamoylamino)-4-methylsulfanyl-N-(3-methylsulfonylphenyl)butanamide Traditional Name: (2R)-N-(3-mesylphenyl)-4-(methylthio)-2-ureido-butyramide Formula: C13H19N3O4S2 MolecularWeight: 345.43766

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)C)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)C)NC(=O)N

InChI

InChI=1S/C13H19N3O4S2/c1-21-7-6-11(16-13(14)18)12(17)15-9-4-3-5-10(8-9)22(2,19)20/h3-5,8,11H,6-7H2,1-2H3,(H,15,17)(H3,14,16,18)/t11-/m1/s1