methyl 4-[[4-azanyl-3,5-bis(chloranyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[4-azanyl-3,5-bis(chloranyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[(4-amino-3,5-dichloro-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[(4-amino-3,5-dichloroanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-amino-3,5-dichlorophenyl)carbamothioylamino]butanoate Traditional Name: 4-[(4-amino-3,5-dichloro-phenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C12H15Cl2N3O2S MolecularWeight: 336.2374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=CC(=C(C(=C1)Cl)N)Cl

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=CC(=C(C(=C1)Cl)N)Cl

InChI

InChI=1S/C12H15Cl2N3O2S/c1-19-10(18)3-2-4-16-12(20)17-7-5-8(13)11(15)9(14)6-7/h5-6H,2-4,15H2,1H3,(H2,16,17,20)