methyl 3-[[(E)-(4-bromophenyl)methylideneamino]carbamothioylamino]benzoate

Systemtic Name: methyl 3-[[(E)-(4-bromophenyl)methylideneamino]carbamothioylamino]benzoate Openeye Name: methyl 3-[[(E)-(4-bromophenyl)methyleneamino]carbamothioylamino]benzoate CAS Name: 3-[[[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-(4-bromophenyl)methylideneamino]carbamothioylamino]benzoate Traditional Name: 3-[[(E)-(4-bromobenzylidene)amino]thiocarbamoylamino]benzoic acid methyl ester Formula: C16H14BrN3O2S MolecularWeight: 392.27026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)NN=CC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)N/N=C/C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H14BrN3O2S/c1-22-15(21)12-3-2-4-14(9-12)19-16(23)20-18-10-11-5-7-13(17)8-6-11/h2-10H,1H3,(H2,19,20,23)/b18-10+