1-[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-thiophen-2-yl-urea

Systemtic Name: 1-[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-thiophen-2-yl-urea Openeye Name: 1-[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(2-thienyl)urea CAS Name: 1-[5-[2-(1-piperidin-1-iumyl)ethylthio]-1,3,4-thiadiazol-2-yl]-3-thiophen-2-ylurea IUPAC Name: 1-[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-thiophen-2-ylurea Traditional Name: 1-[5-(2-piperidin-1-ium-1-ylethylthio)-1,3,4-thiadiazol-2-yl]-3-(2-thienyl)urea Formula: C14H20N5OS3+ MolecularWeight: 370.5365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NN=C(S2)NC(=O)NC3=CC=CS3

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NN=C(S2)NC(=O)NC3=CC=CS3

InChI

InChI=1S/C14H19N5OS3/c20-12(15-11-5-4-9-21-11)16-13-17-18-14(23-13)22-10-8-19-6-2-1-3-7-19/h4-5,9H,1-3,6-8,10H2,(H2,15,16,17,20)/p+1