(2S)-2-(aminocarbonylamino)-N-(3-iodanyl-4-methyl-phenyl)-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-N-(3-iodanyl-4-methyl-phenyl)-4-methylsulfanyl-butanamide Openeye Name: (2S)-N-(3-iodo-4-methyl-phenyl)-4-methylsulfanyl-2-ureido-butanamide CAS Name: (2S)-2-(carbamoylamino)-N-(3-iodo-4-methylphenyl)-4-(methylthio)butanamide IUPAC Name: (2S)-2-(carbamoylamino)-N-(3-iodo-4-methylphenyl)-4-methylsulfanylbutanamide Traditional Name: (2S)-N-(3-iodo-4-methyl-phenyl)-4-(methylthio)-2-ureido-butyramide Formula: C13H18IN3O2S MolecularWeight: 407.27039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18IN3O2S/c1-8-3-4-9(7-10(8)14)16-12(18)11(5-6-20-2)17-13(15)19/h3-4,7,11H,5-6H2,1-2H3,(H,16,18)(H3,15,17,19)/t11-/m0/s1