methyl 6-[[(3-bromophenyl)amino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(3-bromophenyl)amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[(3-bromoanilino)carbamothioylamino]hexanoate CAS Name: 6-[[[(3-bromophenyl)hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(3-bromoanilino)carbamothioylamino]hexanoate Traditional Name: 6-[(3-bromoanilino)thiocarbamoylamino]hexanoic acid methyl ester Formula: C14H20BrN3O2S MolecularWeight: 374.2965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrN3O2S/c1-20-13(19)8-3-2-4-9-16-14(21)18-17-12-7-5-6-11(15)10-12/h5-7,10,17H,2-4,8-9H2,1H3,(H2,16,18,21)