methyl 4-[[2-(4-cyanophenoxy)ethanoylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-(4-cyanophenoxy)ethanoylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[2-(4-cyanophenoxy)acetyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[2-(4-cyanophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-cyanophenoxy)acetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[2-(4-cyanophenoxy)acetyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=O)COC1=CC=C(C=C1)C#N

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=O)COC1=CC=C(C=C1)C#N

InChI

InChI=1S/C15H18N4O4S/c1-22-14(21)3-2-8-17-15(24)19-18-13(20)10-23-12-6-4-11(9-16)5-7-12/h4-7H,2-3,8,10H2,1H3,(H,18,20)(H2,17,19,24)