methyl 6-[[(2-bromophenyl)carbonylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(2-bromophenyl)carbonylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(2-bromobenzoyl)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[(2-bromophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2-bromobenzoyl)amino]carbamothioylamino]hexanoate Traditional Name: 6-[[(2-bromobenzoyl)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H20BrN3O3S MolecularWeight: 402.3066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC(=O)C1=CC=CC=C1Br

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C15H20BrN3O3S/c1-22-13(20)9-3-2-6-10-17-15(23)19-18-14(21)11-7-4-5-8-12(11)16/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,18,21)(H2,17,19,23)