N-(2-aminophenyl)-4-[(2-pyridin-3-ylsulfanylethanoylamino)methyl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[(2-pyridin-3-ylsulfanylethanoylamino)methyl]benzamide Openeye Name: N-(2-aminophenyl)-4-[[[2-(3-pyridylsulfanyl)acetyl]amino]methyl]benzamide CAS Name: N-(2-aminophenyl)-4-[[[1-oxo-2-(3-pyridinylthio)ethyl]amino]methyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[[(2-pyridin-3-ylsulfanylacetyl)amino]methyl]benzamide Traditional Name: N-(2-aminophenyl)-4-[[[2-(3-pyridylthio)acetyl]amino]methyl]benzamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)CSC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)CSC3=CN=CC=C3

InChI

InChI=1S/C21H20N4O2S/c22-18-5-1-2-6-19(18)25-21(27)16-9-7-15(8-10-16)12-24-20(26)14-28-17-4-3-11-23-13-17/h1-11,13H,12,14,22H2,(H,24,26)(H,25,27)