5-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanoylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]-1-oxoethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]acetyl]amino]isophthalamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(N=C(N1)SCC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N5O3S/c1-12-17(7-13-5-3-2-4-6-13)26-21(24-12)30-11-18(27)25-16-9-14(19(22)28)8-15(10-16)20(23)29/h2-6,8-10H,7,11H2,1H3,(H2,22,28)(H2,23,29)(H,24,26)(H,25,27)