N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(4-tert-butylphenoxy)butanamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(4-tert-butylphenoxy)butanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(4-tert-butylphenoxy)butanamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(4-tert-butylphenoxy)butanamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(4-tert-butylphenoxy)butanamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(4-tert-butylphenoxy)butyramide Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C25H33N3O2S/c1-25(2,3)18-11-13-19(14-12-18)30-16-7-10-23(29)26-22(15-17-31-4)24-27-20-8-5-6-9-21(20)28-24/h5-6,8-9,11-14,22H,7,10,15-17H2,1-4H3,(H,26,29)(H,27,28)