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

Systemtic Name: butyl 4-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S/c1-2-3-13-29-21(28)17-9-11-18(12-10-17)24-20(27)15-30-22-25-19(14-26(22)23)16-7-5-4-6-8-16/h4-12,14H,2-3,13,15,23H2,1H3,(H,24,27)