methyl 4-[[2-(4-chloranyl-2-methyl-phenoxy)ethanoylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-(4-chloranyl-2-methyl-phenoxy)ethanoylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C15H20ClN3O4S MolecularWeight: 373.855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)NNC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)NNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C15H20ClN3O4S/c1-10-8-11(16)5-6-12(10)23-9-13(20)18-19-15(24)17-7-3-4-14(21)22-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,18,20)(H2,17,19,24)