5-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanoylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[2-[1-(o-tolyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[2-[[1-(2-methylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[2-[[1-(o-tolyl)imidazol-2-yl]thio]acetyl]amino]isophthalamide Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN=C2SCC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N

Isomeric SMILES

CC1=CC=CC=C1N2C=CN=C2SCC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N

InChI

InChI=1S/C20H19N5O3S/c1-12-4-2-3-5-16(12)25-7-6-23-20(25)29-11-17(26)24-15-9-13(18(21)27)8-14(10-15)19(22)28/h2-10H,11H2,1H3,(H2,21,27)(H2,22,28)(H,24,26)