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

Systemtic Name: N2-[3-[3-(azepan-1-ylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine Openeye Name: N2-[3-[3-(azepan-1-ylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine CAS Name: N2-[3-[3-(1-azepanylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine IUPAC Name: 2-N-[3-[3-(azepan-1-ylmethyl)phenoxy]propyl]-1,3,4-thiadiazole-2,5-diamine Traditional Name: (5-amino-1,3,4-thiadiazol-2-yl)-[3-[3-(azepan-1-ylmethyl)phenoxy]propyl]amine Formula: C18H27N5OS MolecularWeight: 361.50488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NN=C(S3)N

Isomeric SMILES

C1CCCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NN=C(S3)N

InChI

InChI=1S/C18H27N5OS/c19-17-21-22-18(25-17)20-9-6-12-24-16-8-5-7-15(13-16)14-23-10-3-1-2-4-11-23/h5,7-8,13H,1-4,6,9-12,14H2,(H2,19,21)(H,20,22)