methyl 4-[[(3-bromophenyl)carbamothioylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(3-bromophenyl)carbamothioylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(3-bromophenyl)carbamothioylamino]carbamothioylamino]butanoate CAS Name: 4-[[[[(3-bromoanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(3-bromophenyl)carbamothioylamino]carbamothioylamino]butanoate Traditional Name: 4-[[(3-bromophenyl)thiocarbamoylamino]thiocarbamoylamino]butyric acid methyl ester Formula: C13H17BrN4O2S2 MolecularWeight: 405.33368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=S)NC1=CC(=CC=C1)Br

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=S)NC1=CC(=CC=C1)Br

InChI

InChI=1S/C13H17BrN4O2S2/c1-20-11(19)6-3-7-15-12(21)17-18-13(22)16-10-5-2-4-9(14)8-10/h2,4-5,8H,3,6-7H2,1H3,(H2,15,17,21)(H2,16,18,22)