methyl 4-[[(5-chloranyl-2-methoxy-phenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(5-chloranyl-2-methoxy-phenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(5-chloro-2-methoxy-benzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-[[[[(5-chloro-2-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(5-chloro-2-methoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(5-chloro-2-methoxy-benzoyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C14H18ClN3O4S MolecularWeight: 359.82842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)NNC(=S)NCCCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C14H18ClN3O4S/c1-21-11-6-5-9(15)8-10(11)13(20)17-18-14(23)16-7-3-4-12(19)22-2/h5-6,8H,3-4,7H2,1-2H3,(H,17,20)(H2,16,18,23)