N-(3-methylbutyl)-2-(1H-perimidin-2-ylsulfanyl)ethanamide

Systemtic Name: N-(3-methylbutyl)-2-(1H-perimidin-2-ylsulfanyl)ethanamide Openeye Name: N-isopentyl-2-(1H-perimidin-2-ylsulfanyl)acetamide CAS Name: N-(3-methylbutyl)-2-(1H-perimidin-2-ylthio)acetamide IUPAC Name: N-(3-methylbutyl)-2-(1H-perimidin-2-ylsulfanyl)acetamide Traditional Name: N-isoamyl-2-(1H-perimidin-2-ylthio)acetamide Formula: C18H21N3OS MolecularWeight: 327.44384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=NC2=CC=CC3=C2C(=CC=C3)N1

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NC2=CC=CC3=C2C(=CC=C3)N1

InChI

InChI=1S/C18H21N3OS/c1-12(2)9-10-19-16(22)11-23-18-20-14-7-3-5-13-6-4-8-15(21-18)17(13)14/h3-8,12H,9-11H2,1-2H3,(H,19,22)(H,20,21)