3-[ethyl-[(2-ethyl-6-methyl-phenyl)carbamothioyl]amino]propanoic acid

Systemtic Name: 3-[ethyl-[(2-ethyl-6-methyl-phenyl)carbamothioyl]amino]propanoic acid Openeye Name: 3-[ethyl-[(2-ethyl-6-methyl-phenyl)carbamothioyl]amino]propanoic acid CAS Name: 3-[ethyl-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[ethyl-[(2-ethyl-6-methylphenyl)carbamothioyl]amino]propanoic acid Traditional Name: 3-[ethyl-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]amino]propionic acid Formula: C15H22N2O2S MolecularWeight: 294.41238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)N(CC)CCC(=O)O)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N(CC)CCC(=O)O)C

InChI

InChI=1S/C15H22N2O2S/c1-4-12-8-6-7-11(3)14(12)16-15(20)17(5-2)10-9-13(18)19/h6-8H,4-5,9-10H2,1-3H3,(H,16,20)(H,18,19)