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

Systemtic Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-heptan-2-yl-urea Openeye Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(1-methylhexyl)urea CAS Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-heptan-2-ylurea IUPAC Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-heptan-2-ylurea Traditional Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(1-methylhexyl)urea Formula: C19H30N4OS MolecularWeight: 362.5327

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4OS/c1-4-5-6-9-14(2)20-19(24)23-17(12-13-25-3)18-21-15-10-7-8-11-16(15)22-18/h7-8,10-11,14,17H,4-6,9,12-13H2,1-3H3,(H,21,22)(H2,20,23,24)/t14?,17-/m0/s1