N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(2,5-dimethyl-3-thienyl)-4-oxo-butanamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(2,5-dimethyl-3-thienyl)-4-keto-butyramide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H25N3O2S2/c1-13-12-15(14(2)28-13)19(25)8-9-20(26)22-18(10-11-27-3)21-23-16-6-4-5-7-17(16)24-21/h4-7,12,18H,8-11H2,1-3H3,(H,22,26)(H,23,24)/t18-/m0/s1