2-acetamido-6-(phenylcarbamothioylamino)hexanoic acid

Systemtic Name: 2-acetamido-6-(phenylcarbamothioylamino)hexanoic acid Openeye Name: 2-acetamido-6-(phenylcarbamothioylamino)hexanoic acid CAS Name: 2-acetamido-6-[[anilino(sulfanylidene)methyl]amino]hexanoic acid IUPAC Name: 2-acetamido-6-(phenylcarbamothioylamino)hexanoic acid Traditional Name: 2-acetamido-6-(phenylthiocarbamoylamino)hexanoic acid Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3S/c1-11(19)17-13(14(20)21)9-5-6-10-16-15(22)18-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,17,19)(H,20,21)(H2,16,18,22)