N3-[3-[3-(azepan-1-ylmethyl)phenoxy]propyl]-1-oxidanylidene-1,2,5-thiadiazole-3,4-diamine

Systemtic Name: N3-[3-[3-(azepan-1-ylmethyl)phenoxy]propyl]-1-oxidanylidene-1,2,5-thiadiazole-3,4-diamine Openeye Name: N3-[3-[3-(azepan-1-ylmethyl)phenoxy]propyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine CAS Name: N3-[3-[3-(1-azepanylmethyl)phenoxy]propyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine IUPAC Name: 3-N-[3-[3-(azepan-1-ylmethyl)phenoxy]propyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine Traditional Name: (4-amino-1-keto-1,2,5-thiadiazol-3-yl)-[3-[3-(azepan-1-ylmethyl)phenoxy]propyl]amine Formula: C18H27N5O2S MolecularWeight: 377.50428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NS(=O)N=C3N

Isomeric SMILES

C1CCCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NS(=O)N=C3N

InChI

InChI=1S/C18H27N5O2S/c19-17-18(22-26(24)21-17)20-9-6-12-25-16-8-5-7-15(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)