methyl 4-[[(E)-(4-acetamidophenyl)methylideneamino]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[(E)-(4-acetamidophenyl)methylideneamino]carbamothioylamino]benzoate Openeye Name: methyl 4-[[(E)-(4-acetamidophenyl)methyleneamino]carbamothioylamino]benzoate CAS Name: 4-[[[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-(4-acetamidophenyl)methylideneamino]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-(4-acetamidobenzylidene)amino]thiocarbamoylamino]benzoic acid methyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=NNC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)/C=N/NC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H18N4O3S/c1-12(23)20-15-7-3-13(4-8-15)11-19-22-18(26)21-16-9-5-14(6-10-16)17(24)25-2/h3-11H,1-2H3,(H,20,23)(H2,21,22,26)/b19-11+