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

Systemtic Name: ethyl 4-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(1-amino-4-phenyl-imidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-amino-4-phenyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-amino-4-phenylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-amino-4-phenyl-imidazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CN2N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CN2N)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O3S/c1-2-27-19(26)15-8-10-16(11-9-15)22-18(25)13-28-20-23-17(12-24(20)21)14-6-4-3-5-7-14/h3-12H,2,13,21H2,1H3,(H,22,25)