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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(phenylmethyl)propan-1-amine; ethanedioic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-benzyl-propan-1-amine; oxalic acid CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(phenylmethyl)-1-propanamine; oxalic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylpropan-1-amine; oxalic acid Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propyl-benzyl-amine; oxalic acid Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCSC2=NC3=CC=CC=C3S2.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCCCSC2=NC3=CC=CC=C3S2.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18N2S2.C2H2O4/c1-2-7-14(8-3-1)13-18-11-6-12-20-17-19-15-9-4-5-10-16(15)21-17;3-1(4)2(5)6/h1-5,7-10,18H,6,11-13H2;(H,3,4)(H,5,6)