N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(cyclohexylcarbamoylamino)butanamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(cyclohexylcarbamoylamino)butanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(cyclohexylcarbamoylamino)butanamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-[[(cyclohexylamino)-oxomethyl]amino]butanamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(cyclohexylcarbamoylamino)butanamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(cyclohexylcarbamoylamino)butyramide Formula: C22H33N5O2S MolecularWeight: 431.59472

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCCNC(=O)NC3CCCCC3

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCCNC(=O)NC3CCCCC3

InChI

InChI=1S/C22H33N5O2S/c1-30-15-13-19(21-26-17-10-5-6-11-18(17)27-21)25-20(28)12-7-14-23-22(29)24-16-8-3-2-4-9-16/h5-6,10-11,16,19H,2-4,7-9,12-15H2,1H3,(H,25,28)(H,26,27)(H2,23,24,29)