ethyl 4-[[2-(4-bromophenyl)ethanoylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-(4-bromophenyl)ethanoylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[2-(4-bromophenyl)acetyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(4-bromophenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(4-bromophenyl)acetyl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[2-(4-bromophenyl)acetyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H18BrN3O3S/c1-2-25-17(24)13-5-9-15(10-6-13)20-18(26)22-21-16(23)11-12-3-7-14(19)8-4-12/h3-10H,2,11H2,1H3,(H,21,23)(H2,20,22,26)