3-(1-adamantylcarbamoylamino)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]propionamide Formula: C25H35N5O2S MolecularWeight: 469.6427

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H35N5O2S/c1-33-9-7-21(23-28-19-4-2-3-5-20(19)29-23)27-22(31)6-8-26-24(32)30-25-13-16-10-17(14-25)12-18(11-16)15-25/h2-5,16-18,21H,6-15H2,1H3,(H,27,31)(H,28,29)(H2,26,30,32)