(2S)-4-(2-aminophenyl)-2-(dimethylcarbamothioylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-(2-aminophenyl)-2-(dimethylcarbamothioylamino)-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-(2-aminophenyl)-2-(dimethylcarbamothioylamino)-4-oxo-butanoic acid CAS Name: (2S)-4-(2-aminophenyl)-2-[[dimethylamino(sulfanylidene)methyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-(2-aminophenyl)-2-(dimethylcarbamothioylamino)-4-oxobutanoic acid Traditional Name: (2S)-4-(2-aminophenyl)-2-(dimethylthiocarbamoylamino)-4-keto-butyric acid Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)NC(CC(=O)C1=CC=CC=C1N)C(=O)O

Isomeric SMILES

CN(C)C(=S)N[C@@H](CC(=O)C1=CC=CC=C1N)C(=O)O

InChI

InChI=1S/C13H17N3O3S/c1-16(2)13(20)15-10(12(18)19)7-11(17)8-5-3-4-6-9(8)14/h3-6,10H,7,14H2,1-2H3,(H,15,20)(H,18,19)/t10-/m0/s1