ethyl (E)-4-[[(2-bromophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[(2-bromophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[(2-bromobenzoyl)amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[(2-bromophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[(2-bromobenzoyl)amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[(2-bromobenzoyl)amino]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C14H14BrN3O4S MolecularWeight: 400.24766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NNC(=O)C1=CC=CC=C1Br

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NNC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C14H14BrN3O4S/c1-2-22-12(20)8-7-11(19)16-14(23)18-17-13(21)9-5-3-4-6-10(9)15/h3-8H,2H2,1H3,(H,17,21)(H2,16,18,19,23)/b8-7+