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

Systemtic Name: methyl 4-[[(3-bromophenyl)amino]carbamothioylamino]butanoate Openeye Name: methyl 4-[(3-bromoanilino)carbamothioylamino]butanoate CAS Name: 4-[[[(3-bromophenyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3-bromoanilino)carbamothioylamino]butanoate Traditional Name: 4-[(3-bromoanilino)thiocarbamoylamino]butyric acid methyl ester Formula: C12H16BrN3O2S MolecularWeight: 346.24334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC1=CC(=CC=C1)Br

Isomeric SMILES

COC(=O)CCCNC(=S)NNC1=CC(=CC=C1)Br

InChI

InChI=1S/C12H16BrN3O2S/c1-18-11(17)6-3-7-14-12(19)16-15-10-5-2-4-9(13)8-10/h2,4-5,8,15H,3,6-7H2,1H3,(H2,14,16,19)