N2-phenyl-N5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine

Systemtic Name: N2-phenyl-N5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine Openeye Name: N2-phenyl-N5-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine CAS Name: N2-phenyl-N5-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine IUPAC Name: 2-N-phenyl-5-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine Traditional Name: (5-anilino-1,3,4-thiadiazol-2-yl)-[3-[3-(piperidinomethyl)phenoxy]propyl]amine Formula: C23H29N5OS MolecularWeight: 423.57426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NN=C(S3)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NN=C(S3)NC4=CC=CC=C4

InChI

InChI=1S/C23H29N5OS/c1-3-10-20(11-4-1)25-23-27-26-22(30-23)24-13-8-16-29-21-12-7-9-19(17-21)18-28-14-5-2-6-15-28/h1,3-4,7,9-12,17H,2,5-6,8,13-16,18H2,(H,24,26)(H,25,27)