N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-imidazol-1-yl-propan-1-amine; ethanedioic acid

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-imidazol-1-yl-propan-1-amine; ethanedioic acid Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-3-imidazol-1-yl-propan-1-amine; oxalic acid CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methyl]-3-(1-imidazolyl)-1-propanamine; oxalic acid IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine; oxalic acid Traditional Name: [5-(1,3-benzothiazol-2-yl)-2-furyl]methyl-(3-imidazol-1-ylpropyl)amine; oxalic acid Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)CNCCCN4C=CN=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)CNCCCN4C=CN=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H18N4OS.C2H2O4/c1-2-5-17-15(4-1)21-18(24-17)16-7-6-14(23-16)12-19-8-3-10-22-11-9-20-13-22;3-1(4)2(5)6/h1-2,4-7,9,11,13,19H,3,8,10,12H2;(H,3,4)(H,5,6)