methyl 3-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(1-amino-4-phenyl-imidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(1-amino-4-phenyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1-amino-4-phenylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(1-amino-4-phenyl-imidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=CN2N)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=CN2N)C3=CC=CC=C3

InChI

InChI=1S/C19H18N4O3S/c1-26-18(25)14-8-5-9-15(10-14)21-17(24)12-27-19-22-16(11-23(19)20)13-6-3-2-4-7-13/h2-11H,12,20H2,1H3,(H,21,24)