N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-2-(4-ethoxyphenyl)sulfanyl-ethanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-2-(4-ethoxyphenyl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-2-(4-ethoxyphenyl)sulfanyl-acetamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(4-ethoxyphenyl)thio]acetamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-ethoxyphenyl)sulfanylacetamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-2-(p-phenetylthio)acetamide Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)NC(C2=NC3=CC=CC=C3N2)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)N[C@H](C2=NC3=CC=CC=C3N2)C(C)C

InChI

InChI=1S/C21H25N3O2S/c1-4-26-15-9-11-16(12-10-15)27-13-19(25)24-20(14(2)3)21-22-17-7-5-6-8-18(17)23-21/h5-12,14,20H,4,13H2,1-3H3,(H,22,23)(H,24,25)/t20-/m0/s1