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

Systemtic Name: methyl 4-[[2-(4-ethylphenoxy)ethanoylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[2-(4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[2-(4-ethylphenoxy)acetyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NCCCC(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C16H23N3O4S/c1-3-12-6-8-13(9-7-12)23-11-14(20)18-19-16(24)17-10-4-5-15(21)22-2/h6-9H,3-5,10-11H2,1-2H3,(H,18,20)(H2,17,19,24)