3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-diethyl-propan-1-amine; ethanedioic acid

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-diethyl-propan-1-amine; ethanedioic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-diethyl-propan-1-amine; oxalic acid CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N,N-diethyl-1-propanamine; oxalic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N,N-diethylpropan-1-amine; oxalic acid Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propyl-diethyl-amine; oxalic acid Formula: C16H22N2O4S2 MolecularWeight: 370.48688

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCSC1=NC2=CC=CC=C2S1.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCCSC1=NC2=CC=CC=C2S1.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H20N2S2.C2H2O4/c1-3-16(4-2)10-7-11-17-14-15-12-8-5-6-9-13(12)18-14;3-1(4)2(5)6/h5-6,8-9H,3-4,7,10-11H2,1-2H3;(H,3,4)(H,5,6)