6-[(2-azanyl-4-phenyl-1,3-thiazol-5-yl)carbonylamino]hexanoate

Systemtic Name: 6-[(2-azanyl-4-phenyl-1,3-thiazol-5-yl)carbonylamino]hexanoate Openeye Name: 6-[(2-amino-4-phenyl-thiazole-5-carbonyl)amino]hexanoate CAS Name: 6-[[(2-amino-4-phenyl-5-thiazolyl)-oxomethyl]amino]hexanoate IUPAC Name: 6-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoate Traditional Name: 6-[(2-amino-4-phenyl-thiazole-5-carbonyl)amino]hexanoate Formula: C16H18N3O3S- MolecularWeight: 332.39742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC(=N2)N)C(=O)NCCCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SC(=N2)N)C(=O)NCCCCCC(=O)[O-]

InChI

InChI=1S/C16H19N3O3S/c17-16-19-13(11-7-3-1-4-8-11)14(23-16)15(22)18-10-6-2-5-9-12(20)21/h1,3-4,7-8H,2,5-6,9-10H2,(H2,17,19)(H,18,22)(H,20,21)/p-1