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

Systemtic Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(4-methylpentyl)urea Openeye Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-isohexyl-urea CAS Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(4-methylpentyl)urea IUPAC Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(4-methylpentyl)urea Traditional Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-isohexyl-urea Formula: C18H28N4OS MolecularWeight: 348.50612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCNC(=O)NC(CCSC)C1=NC2=CC=CC=C2N1

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4OS/c1-13(2)7-6-11-19-18(23)22-16(10-12-24-3)17-20-14-8-4-5-9-15(14)21-17/h4-5,8-9,13,16H,6-7,10-12H2,1-3H3,(H,20,21)(H2,19,22,23)/t16-/m0/s1