propyl 4-[[(2-bromophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[(2-bromophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[(2-bromobenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(2-bromophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[(2-bromobenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(2-bromobenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C15H18BrN3O4S MolecularWeight: 416.29012

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=CC=C1Br

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C15H18BrN3O4S/c1-2-9-23-13(21)8-7-12(20)17-15(24)19-18-14(22)10-5-3-4-6-11(10)16/h3-6H,2,7-9H2,1H3,(H,18,22)(H2,17,19,20,24)