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

Systemtic Name: (2S)-2-(aminocarbonylamino)-N-(3,4-dimethoxyphenyl)-4-methylsulfanyl-butanamide Openeye Name: (2S)-N-(3,4-dimethoxyphenyl)-4-methylsulfanyl-2-ureido-butanamide CAS Name: (2S)-2-(carbamoylamino)-N-(3,4-dimethoxyphenyl)-4-(methylthio)butanamide IUPAC Name: (2S)-2-(carbamoylamino)-N-(3,4-dimethoxyphenyl)-4-methylsulfanylbutanamide Traditional Name: (2S)-N-(3,4-dimethoxyphenyl)-4-(methylthio)-2-ureido-butyramide Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)N)OC

InChI

InChI=1S/C14H21N3O4S/c1-20-11-5-4-9(8-12(11)21-2)16-13(18)10(6-7-22-3)17-14(15)19/h4-5,8,10H,6-7H2,1-3H3,(H,16,18)(H3,15,17,19)/t10-/m0/s1