N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(2,4-dimethylphenyl)propanamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(2,4-dimethylphenyl)propanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(2,4-dimethylphenyl)propanamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(2,4-dimethylphenyl)propanamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(2,4-dimethylphenyl)propanamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(2,4-dimethylphenyl)propionamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)C

Isomeric SMILES

CC1=CC(=C(C=C1)CCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C22H27N3OS/c1-15-8-9-17(16(2)14-15)10-11-21(26)23-20(12-13-27-3)22-24-18-6-4-5-7-19(18)25-22/h4-9,14,20H,10-13H2,1-3H3,(H,23,26)(H,24,25)