1-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-butyl-urea

Systemtic Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-butyl-urea Openeye Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-butyl-urea CAS Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-butylurea IUPAC Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-butylurea Traditional Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-butyl-urea Formula: C16H24N4OS MolecularWeight: 320.45296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(CCSC)C1=NC2=CC=CC=C2N1

Isomeric SMILES

CCCCNC(=O)N[C@@H](CCSC)C1=NC2=CC=CC=C2N1

InChI

InChI=1S/C16H24N4OS/c1-3-4-10-17-16(21)20-14(9-11-22-2)15-18-12-7-5-6-8-13(12)19-15/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,19)(H2,17,20,21)/t14-/m0/s1