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

Systemtic Name: ethyl 4-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-(1-amino-4-phenyl-imidazol-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(1-amino-4-phenyl-2-imidazolyl)thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-amino-4-phenylimidazol-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(1-amino-4-phenyl-imidazol-2-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC(=CN1N)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC(=CN1N)C2=CC=CC=C2

InChI

InChI=1S/C17H22N4O3S/c1-2-24-16(23)9-6-10-19-15(22)12-25-17-20-14(11-21(17)18)13-7-4-3-5-8-13/h3-5,7-8,11H,2,6,9-10,12,18H2,1H3,(H,19,22)