methyl 4-[[(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(3-phenyl-2-thioxo-1H-imidazole-4-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[oxo-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(3-phenyl-2-thioxo-4-imidazoline-4-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O3S/c1-25-18(24)14-9-7-13(8-10-14)11-20-17(23)16-12-21-19(26)22(16)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,20,23)(H,21,26)