N-[(1S,2S)-2-methylcyclohexyl]-2-(1H-perimidin-2-ylsulfanyl)ethanamide

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-2-(1H-perimidin-2-ylsulfanyl)ethanamide Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-2-(1H-perimidin-2-ylsulfanyl)acetamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-2-(1H-perimidin-2-ylthio)acetamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-2-(1H-perimidin-2-ylsulfanyl)acetamide Traditional Name: N-[(1S,2S)-2-methylcyclohexyl]-2-(1H-perimidin-2-ylthio)acetamide Formula: C20H23N3OS MolecularWeight: 353.48112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2

InChI

InChI=1S/C20H23N3OS/c1-13-6-2-3-9-15(13)21-18(24)12-25-20-22-16-10-4-7-14-8-5-11-17(23-20)19(14)16/h4-5,7-8,10-11,13,15H,2-3,6,9,12H2,1H3,(H,21,24)(H,22,23)/t13-,15-/m0/s1