4-tert-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-(3-methylbutyl)benzamide

Systemtic Name: 4-tert-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-(3-methylbutyl)benzamide Openeye Name: 4-tert-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-isopentyl-benzamide CAS Name: 4-tert-butyl-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-N-(3-methylbutyl)benzamide IUPAC Name: 4-tert-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-(3-methylbutyl)benzamide Traditional Name: 4-tert-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-N-isoamyl-benzamide Formula: C28H35N3OS MolecularWeight: 461.662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)N(CCC(C)C)C(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)N(CCC(C)C)C(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C28H35N3OS/c1-19(2)16-17-31(26(32)22-8-10-23(11-9-22)28(5,6)7)24-12-14-25(15-13-24)33-27-29-20(3)18-21(4)30-27/h8-15,18-19H,16-17H2,1-7H3