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

Systemtic Name: methyl 4-[[[2,5-bis(chloranyl)phenyl]carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(2,5-dichlorobenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-[[[[(2,5-dichlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2,5-dichlorobenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(2,5-dichlorobenzoyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C13H15Cl2N3O3S MolecularWeight: 364.2475

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=O)C1=C(C=CC(=C1)Cl)Cl

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=O)C1=C(C=CC(=C1)Cl)Cl

InChI

InChI=1S/C13H15Cl2N3O3S/c1-21-11(19)3-2-6-16-13(22)18-17-12(20)9-7-8(14)4-5-10(9)15/h4-5,7H,2-3,6H2,1H3,(H,17,20)(H2,16,18,22)