methyl 4-[[(E)-(2,4-dichlorophenyl)methylideneamino]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[(E)-(2,4-dichlorophenyl)methylideneamino]carbamothioylamino]benzoate Openeye Name: methyl 4-[[(E)-(2,4-dichlorophenyl)methyleneamino]carbamothioylamino]benzoate CAS Name: 4-[[[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-(2,4-dichlorophenyl)methylideneamino]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-(2,4-dichlorobenzylidene)amino]thiocarbamoylamino]benzoic acid methyl ester Formula: C16H13Cl2N3O2S MolecularWeight: 382.26432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13Cl2N3O2S/c1-23-15(22)10-3-6-13(7-4-10)20-16(24)21-19-9-11-2-5-12(17)8-14(11)18/h2-9H,1H3,(H2,20,21,24)/b19-9+