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

Systemtic Name: propan-2-yl 4-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c1-14(2)28-20(27)16-8-10-17(11-9-16)23-19(26)13-29-21-24-18(12-25(21)22)15-6-4-3-5-7-15/h3-12,14H,13,22H2,1-2H3,(H,23,26)