N-(3-propan-2-ylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-(3-propan-2-ylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide Openeye Name: N-(3-isopropylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide CAS Name: N-(3-propan-2-ylphenyl)-3-[(2-pyrazinylthio)methyl]benzamide IUPAC Name: N-(3-propan-2-ylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide Traditional Name: N-m-cumenyl-3-[(pyrazin-2-ylthio)methyl]benzamide Formula: C21H21N3OS MolecularWeight: 363.47594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3OS/c1-15(2)17-6-4-8-19(12-17)24-21(25)18-7-3-5-16(11-18)14-26-20-13-22-9-10-23-20/h3-13,15H,14H2,1-2H3,(H,24,25)