N'-[2-(2,4-dimethoxy-1,3-benzothiazol-7-yl)ethyl]-N-phenethyl-hexane-1,6-diamine

Systemtic Name: N'-[2-(2,4-dimethoxy-1,3-benzothiazol-7-yl)ethyl]-N-phenethyl-hexane-1,6-diamine Openeye Name: N'-[2-(2,4-dimethoxy-1,3-benzothiazol-7-yl)ethyl]-N-phenethyl-hexane-1,6-diamine CAS Name: N'-[2-(2,4-dimethoxy-1,3-benzothiazol-7-yl)ethyl]-N-phenethylhexane-1,6-diamine IUPAC Name: N'-[2-(2,4-dimethoxy-1,3-benzothiazol-7-yl)ethyl]-N-phenethylhexane-1,6-diamine Traditional Name: 2-(2,4-dimethoxy-1,3-benzothiazol-7-yl)ethyl-[6-(phenethylamino)hexyl]amine Formula: C25H35N3O2S MolecularWeight: 441.6293

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)CCNCCCCCCNCCC3=CC=CC=C3)SC(=N2)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)CCNCCCCCCNCCC3=CC=CC=C3)SC(=N2)OC

InChI

InChI=1S/C25H35N3O2S/c1-29-22-13-12-21(24-23(22)28-25(30-2)31-24)15-19-27-17-9-4-3-8-16-26-18-14-20-10-6-5-7-11-20/h5-7,10-13,26-27H,3-4,8-9,14-19H2,1-2H3