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

Systemtic Name: methyl 3-[[(E)-(3,4-dichlorophenyl)methylideneamino]carbamothioylamino]benzoate Openeye Name: methyl 3-[[(E)-(3,4-dichlorophenyl)methyleneamino]carbamothioylamino]benzoate CAS Name: 3-[[[(2E)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-(3,4-dichlorophenyl)methylideneamino]carbamothioylamino]benzoate Traditional Name: 3-[[(E)-(3,4-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(=CC=C1)NC(=S)NN=CC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

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

InChI

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