1-oxidanylidene-N3-phenethyl-N4-[3-[propyl(pyridin-2-yl)amino]propyl]-1,2,5-thiadiazole-3,4-diamine

Systemtic Name: 1-oxidanylidene-N3-phenethyl-N4-[3-[propyl(pyridin-2-yl)amino]propyl]-1,2,5-thiadiazole-3,4-diamine Openeye Name: 1-oxo-N3-phenethyl-N4-[3-[propyl(2-pyridyl)amino]propyl]-1,2,5-thiadiazole-3,4-diamine CAS Name: 1-oxo-N3-phenethyl-N4-[3-[propyl(2-pyridinyl)amino]propyl]-1,2,5-thiadiazole-3,4-diamine IUPAC Name: 1-oxo-3-N-phenethyl-4-N-[3-[propyl(pyridin-2-yl)amino]propyl]-1,2,5-thiadiazole-3,4-diamine Traditional Name: 3-[[1-keto-4-(phenethylamino)-1,2,5-thiadiazol-3-yl]amino]propyl-propyl-(2-pyridyl)amine Formula: C21H28N6OS MolecularWeight: 412.55162

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCNC1=NS(=O)N=C1NCCC2=CC=CC=C2)C3=CC=CC=N3

Isomeric SMILES

CCCN(CCCNC1=NS(=O)N=C1NCCC2=CC=CC=C2)C3=CC=CC=N3

InChI

InChI=1S/C21H28N6OS/c1-2-16-27(19-11-6-7-13-22-19)17-8-14-23-20-21(26-29(28)25-20)24-15-12-18-9-4-3-5-10-18/h3-7,9-11,13H,2,8,12,14-17H2,1H3,(H,23,25)(H,24,26)