methyl 4-[[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[(2R)-2-(4-cyanophenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NCCCC(=O)OC)OC1=CC=C(C=C1)C#N

Isomeric SMILES

C[C@H](C(=O)NNC(=S)NCCCC(=O)OC)OC1=CC=C(C=C1)C#N

InChI

InChI=1S/C16H20N4O4S/c1-11(24-13-7-5-12(10-17)6-8-13)15(22)19-20-16(25)18-9-3-4-14(21)23-2/h5-8,11H,3-4,9H2,1-2H3,(H,19,22)(H2,18,20,25)/t11-/m1/s1