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2-[[3-(dimethylcarbamothioylamino)phenyl]amino]propanoic acid

2-[[3-(dimethylcarbamothioylamino)phenyl]amino]propanoic acid

Systemtic Name:2-[[3-(dimethylcarbamothioylamino)phenyl]amino]propanoic acid
Openeye Name:2-[3-(dimethylcarbamothioylamino)anilino]propanoic acid
CAS Name:2-[3-[[dimethylamino(sulfanylidene)methyl]amino]anilino]propanoic acid
IUPAC Name:2-[3-(dimethylcarbamothioylamino)anilino]propanoic acid
Traditional Name:2-[3-(dimethylthiocarbamoylamino)anilino]propionic acid
Formula: C12H17N3O2S
MolecularWeight: 267.34728
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=CC=CC(=C1)NC(=S)N(C)C


Isomeric SMILES

CC(C(=O)O)NC1=CC=CC(=C1)NC(=S)N(C)C


InChI

InChI=1S/C12H17N3O2S/c1-8(11(16)17)13-9-5-4-6-10(7-9)14-12(18)15(2)3/h4-8,13H,1-3H3,(H,14,18)(H,16,17)


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