methyl 6-[[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[(2R)-2-(2,3-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]carbamothioylamino]hexanoate Traditional Name: 6-[[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H29N3O4S MolecularWeight: 395.51626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC(C)C(=O)NNC(=S)NCCCCCC(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)O[C@H](C)C(=O)NNC(=S)NCCCCCC(=O)OC)C

InChI

InChI=1S/C19H29N3O4S/c1-13-9-8-10-16(14(13)2)26-15(3)18(24)21-22-19(27)20-12-7-5-6-11-17(23)25-4/h8-10,15H,5-7,11-12H2,1-4H3,(H,21,24)(H2,20,22,27)/t15-/m1/s1