N-[4-methoxy-3-(phenylmethyl)phenyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-[4-methoxy-3-(phenylmethyl)phenyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-(3-benzyl-4-methoxy-phenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-[4-methoxy-3-(phenylmethyl)phenyl]-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(3-benzyl-4-methoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-(3-benzyl-4-methoxy-phenyl)-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3S/c1-31-15-14-28-27(31)35-18-25(32)29-22-10-8-20(9-11-22)26(33)30-23-12-13-24(34-2)21(17-23)16-19-6-4-3-5-7-19/h3-15,17H,16,18H2,1-2H3,(H,29,32)(H,30,33)