N-[(1S)-1-[1-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]benzimidazol-2-yl]-3-methylsulfanyl-propyl]benzamide

Systemtic Name: N-[(1S)-1-[1-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]benzimidazol-2-yl]-3-methylsulfanyl-propyl]benzamide Openeye Name: N-[(1S)-1-[1-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]benzimidazol-2-yl]-3-methylsulfanyl-propyl]benzamide CAS Name: N-[(1S)-1-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-benzimidazolyl]-3-(methylthio)propyl]benzamide IUPAC Name: N-[(1S)-1-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide Traditional Name: N-[(1S)-1-[1-(4-tert-butyl-2,6-dimethyl-benzyl)benzimidazol-2-yl]-3-(methylthio)propyl]benzamide Formula: C31H37N3OS MolecularWeight: 499.70998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CN2C3=CC=CC=C3N=C2C(CCSC)NC(=O)C4=CC=CC=C4)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CN2C3=CC=CC=C3N=C2[C@H](CCSC)NC(=O)C4=CC=CC=C4)C)C(C)(C)C

InChI

InChI=1S/C31H37N3OS/c1-21-18-24(31(3,4)5)19-22(2)25(21)20-34-28-15-11-10-14-26(28)32-29(34)27(16-17-36-6)33-30(35)23-12-8-7-9-13-23/h7-15,18-19,27H,16-17,20H2,1-6H3,(H,33,35)/t27-/m0/s1