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

Systemtic Name: 1-(1-adamantylmethyl)-3-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]urea Openeye Name: 1-(1-adamantylmethyl)-3-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]urea CAS Name: 1-(1-adamantylmethyl)-3-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]urea IUPAC Name: 1-(1-adamantylmethyl)-3-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]urea Traditional Name: 1-(1-adamantylmethyl)-3-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]urea Formula: C23H32N4OS MolecularWeight: 412.59138

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H32N4OS/c1-29-7-6-20(21-25-18-4-2-3-5-19(18)26-21)27-22(28)24-14-23-11-15-8-16(12-23)10-17(9-15)13-23/h2-5,15-17,20H,6-14H2,1H3,(H,25,26)(H2,24,27,28)/t15?,16?,17?,20-,23?/m0/s1