(2S)-2-(aminocarbonylamino)-N-(3-ethanoylphenyl)-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-N-(3-ethanoylphenyl)-4-methylsulfanyl-butanamide Openeye Name: (2S)-N-(3-acetylphenyl)-4-methylsulfanyl-2-ureido-butanamide CAS Name: (2S)-N-(3-acetylphenyl)-2-(carbamoylamino)-4-(methylthio)butanamide IUPAC Name: (2S)-N-(3-acetylphenyl)-2-(carbamoylamino)-4-methylsulfanylbutanamide Traditional Name: (2S)-N-(3-acetylphenyl)-4-(methylthio)-2-ureido-butyramide Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3S/c1-9(18)10-4-3-5-11(8-10)16-13(19)12(6-7-21-2)17-14(15)20/h3-5,8,12H,6-7H2,1-2H3,(H,16,19)(H3,15,17,20)/t12-/m0/s1