4-[2-(1H-perimidin-2-ylsulfanyl)propanoylamino]benzamide

Systemtic Name: 4-[2-(1H-perimidin-2-ylsulfanyl)propanoylamino]benzamide Openeye Name: 4-[2-(1H-perimidin-2-ylsulfanyl)propanoylamino]benzamide CAS Name: 4-[[1-oxo-2-(1H-perimidin-2-ylthio)propyl]amino]benzamide IUPAC Name: 4-[2-(1H-perimidin-2-ylsulfanyl)propanoylamino]benzamide Traditional Name: 4-[2-(1H-perimidin-2-ylthio)propanoylamino]benzamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC3=CC=CC4=C3C(=CC=C4)N2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC3=CC=CC4=C3C(=CC=C4)N2

InChI

InChI=1S/C21H18N4O2S/c1-12(20(27)23-15-10-8-14(9-11-15)19(22)26)28-21-24-16-6-2-4-13-5-3-7-17(25-21)18(13)16/h2-12H,1H3,(H2,22,26)(H,23,27)(H,24,25)