propyl 4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: propyl 4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: propyl 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid propyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C

InChI

InChI=1S/C16H19N3O3S/c1-3-10-22-15(21)12-4-6-13(7-5-12)18-14(20)11-23-16-17-8-9-19(16)2/h4-9H,3,10-11H2,1-2H3,(H,18,20)