1-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(4-phenylbutan-2-yl)urea

Systemtic Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(4-phenylbutan-2-yl)urea Openeye Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(1-methyl-3-phenyl-propyl)urea CAS Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(4-phenylbutan-2-yl)urea IUPAC Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(4-phenylbutan-2-yl)urea Traditional Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(1-methyl-3-phenyl-propyl)urea Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C22H28N4OS/c1-16(12-13-17-8-4-3-5-9-17)23-22(27)26-20(14-15-28-2)21-24-18-10-6-7-11-19(18)25-21/h3-11,16,20H,12-15H2,1-2H3,(H,24,25)(H2,23,26,27)/t16?,20-/m0/s1