3-[2-(1-adamantylmethylamino)ethylamino]propyl carbamimidothioate

Systemtic Name: 3-[2-(1-adamantylmethylamino)ethylamino]propyl carbamimidothioate Openeye Name: 2-[3-[2-(1-adamantylmethylamino)ethylamino]propyl]isothiourea CAS Name: carbamimidothioic acid 3-[2-(1-adamantylmethylamino)ethylamino]propyl ester IUPAC Name: 3-[2-(1-adamantylmethylamino)ethylamino]propyl carbamimidothioate Traditional Name: 2-[3-[2-(1-adamantylmethylamino)ethylamino]propyl]isothiourea Formula: C17H32N4S MolecularWeight: 324.52778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNCCNCCCSC(=N)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNCCNCCCSC(=N)N

InChI

InChI=1S/C17H32N4S/c18-16(19)22-5-1-2-20-3-4-21-12-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15,20-21H,1-12H2,(H3,18,19)