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

Systemtic Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea Openeye Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea CAS Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-[(1-phenyl-4-pyrazolyl)methyl]urea IUPAC Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea Traditional Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea Formula: C22H24N6OS MolecularWeight: 420.53056

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)NCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N6OS/c1-30-12-11-20(21-25-18-9-5-6-10-19(18)26-21)27-22(29)23-13-16-14-24-28(15-16)17-7-3-2-4-8-17/h2-10,14-15,20H,11-13H2,1H3,(H,25,26)(H2,23,27,29)/t20-/m0/s1