(2S)-2-azanyl-3-[4-(carbamothioylamino)phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-(carbamothioylamino)phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-(carbamothioylamino)phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-(carbamothioylamino)phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-(carbamothioylamino)phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-(4-thioureidophenyl)propionic acid Formula: C10H13N3O2S MolecularWeight: 239.29412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)NC(=S)N

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)N)NC(=S)N

InChI

InChI=1S/C10H13N3O2S/c11-8(9(14)15)5-6-1-3-7(4-2-6)13-10(12)16/h1-4,8H,5,11H2,(H,14,15)(H3,12,13,16)/t8-/m0/s1