N-(3-methyl-4-propan-2-yl-phenyl)-3-(pyrazin-2-ylmethylsulfanyl)benzamide

Systemtic Name: N-(3-methyl-4-propan-2-yl-phenyl)-3-(pyrazin-2-ylmethylsulfanyl)benzamide Openeye Name: N-(4-isopropyl-3-methyl-phenyl)-3-(pyrazin-2-ylmethylsulfanyl)benzamide CAS Name: N-(3-methyl-4-propan-2-ylphenyl)-3-(2-pyrazinylmethylthio)benzamide IUPAC Name: N-(3-methyl-4-propan-2-ylphenyl)-3-(pyrazin-2-ylmethylsulfanyl)benzamide Traditional Name: N-(4-isopropyl-3-methyl-phenyl)-3-(pyrazin-2-ylmethylthio)benzamide Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)SCC3=NC=CN=C3)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)SCC3=NC=CN=C3)C(C)C

InChI

InChI=1S/C22H23N3OS/c1-15(2)21-8-7-18(11-16(21)3)25-22(26)17-5-4-6-20(12-17)27-14-19-13-23-9-10-24-19/h4-13,15H,14H2,1-3H3,(H,25,26)