(2S)-2-(aminocarbonylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanyl-butanamide Openeye Name: (2S)-N-(3,4-dimethylphenyl)-4-methylsulfanyl-2-ureido-butanamide CAS Name: (2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-(methylthio)butanamide IUPAC Name: (2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide Traditional Name: (2S)-N-(3,4-dimethylphenyl)-4-(methylthio)-2-ureido-butyramide Formula: C14H21N3O2S MolecularWeight: 295.40044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)N)C

InChI

InChI=1S/C14H21N3O2S/c1-9-4-5-11(8-10(9)2)16-13(18)12(6-7-20-3)17-14(15)19/h4-5,8,12H,6-7H2,1-3H3,(H,16,18)(H3,15,17,19)/t12-/m0/s1