(2R)-N-(4-acetamidophenyl)-2-(1H-perimidin-2-ylsulfanyl)propanamide

Systemtic Name: (2R)-N-(4-acetamidophenyl)-2-(1H-perimidin-2-ylsulfanyl)propanamide Openeye Name: (2R)-N-(4-acetamidophenyl)-2-(1H-perimidin-2-ylsulfanyl)propanamide CAS Name: (2R)-N-(4-acetamidophenyl)-2-(1H-perimidin-2-ylthio)propanamide IUPAC Name: (2R)-N-(4-acetamidophenyl)-2-(1H-perimidin-2-ylsulfanyl)propanamide Traditional Name: (2R)-N-(4-acetamidophenyl)-2-(1H-perimidin-2-ylthio)propionamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NC3=CC=CC4=C3C(=CC=C4)N2

InChI

InChI=1S/C22H20N4O2S/c1-13(21(28)24-17-11-9-16(10-12-17)23-14(2)27)29-22-25-18-7-3-5-15-6-4-8-19(26-22)20(15)18/h3-13H,1-2H3,(H,23,27)(H,24,28)(H,25,26)/t13-/m1/s1