3-[(2,6-dimethylphenyl)carbamothioyl-prop-2-enyl-amino]propanoic acid

Systemtic Name: 3-[(2,6-dimethylphenyl)carbamothioyl-prop-2-enyl-amino]propanoic acid Openeye Name: 3-[allyl-[(2,6-dimethylphenyl)carbamothioyl]amino]propanoic acid CAS Name: 3-[[(2,6-dimethylanilino)-sulfanylidenemethyl]-prop-2-enylamino]propanoic acid IUPAC Name: 3-[(2,6-dimethylphenyl)carbamothioyl-prop-2-enylamino]propanoic acid Traditional Name: 3-[allyl-[(2,6-dimethylphenyl)thiocarbamoyl]amino]propionic acid Formula: C15H20N2O2S MolecularWeight: 292.3965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)N(CCC(=O)O)CC=C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N(CCC(=O)O)CC=C

InChI

InChI=1S/C15H20N2O2S/c1-4-9-17(10-8-13(18)19)15(20)16-14-11(2)6-5-7-12(14)3/h4-7H,1,8-10H2,2-3H3,(H,16,20)(H,18,19)