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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)propan-1-amine; ethanedioic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-furylmethyl)propan-1-amine; oxalic acid CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(2-furanylmethyl)-1-propanamine; oxalic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)propan-1-amine; oxalic acid Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propyl-(2-furfuryl)amine; oxalic acid Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCNCC3=CC=CO3.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCNCC3=CC=CO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H16N2OS2.C2H2O4/c1-2-7-14-13(6-1)17-15(20-14)19-10-4-8-16-11-12-5-3-9-18-12;3-1(4)2(5)6/h1-3,5-7,9,16H,4,8,10-11H2;(H,3,4)(H,5,6)