3-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]methylsulfanyl]propan-1-amine

Systemtic Name: 3-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]methylsulfanyl]propan-1-amine Openeye Name: 3-[[2-(1-piperidylmethyl)-3H-benzimidazol-5-yl]methylsulfanyl]propan-1-amine CAS Name: 3-[[2-(1-piperidinylmethyl)-3H-benzimidazol-5-yl]methylthio]-1-propanamine IUPAC Name: 3-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]methylsulfanyl]propan-1-amine Traditional Name: 3-[[2-(piperidinomethyl)-3H-benzimidazol-5-yl]methylthio]propylamine Formula: C17H26N4S MolecularWeight: 318.48014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NC3=C(N2)C=C(C=C3)CSCCCN

Isomeric SMILES

C1CCN(CC1)CC2=NC3=C(N2)C=C(C=C3)CSCCCN

InChI

InChI=1S/C17H26N4S/c18-7-4-10-22-13-14-5-6-15-16(11-14)20-17(19-15)12-21-8-2-1-3-9-21/h5-6,11H,1-4,7-10,12-13,18H2,(H,19,20)