N',N'-diethyl-N-(6-methoxy-1,3-benzothiazol-4-yl)hexane-1,6-diamine; ethanedioic acid

Systemtic Name: N',N'-diethyl-N-(6-methoxy-1,3-benzothiazol-4-yl)hexane-1,6-diamine; ethanedioic acid Openeye Name: N',N'-diethyl-N-(6-methoxy-1,3-benzothiazol-4-yl)hexane-1,6-diamine; oxalic acid CAS Name: N',N'-diethyl-N-(6-methoxy-1,3-benzothiazol-4-yl)hexane-1,6-diamine; oxalic acid IUPAC Name: N',N'-diethyl-N-(6-methoxy-1,3-benzothiazol-4-yl)hexane-1,6-diamine; oxalic acid Traditional Name: diethyl-[6-[(6-methoxy-1,3-benzothiazol-4-yl)amino]hexyl]amine; oxalic acid Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCCCNC1=CC(=CC2=C1N=CS2)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCCCCCNC1=CC(=CC2=C1N=CS2)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H29N3OS.C2H2O4/c1-4-21(5-2)11-9-7-6-8-10-19-16-12-15(22-3)13-17-18(16)20-14-23-17;3-1(4)2(5)6/h12-14,19H,4-11H2,1-3H3;(H,3,4)(H,5,6)