ethanedioic acid; N-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: ethanedioic acid; N-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide; oxalic acid CAS Name: N-[3-(1-imidazolyl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide; oxalic acid IUPAC Name: N-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide; oxalic acid Traditional Name: N-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide; oxalic acid Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NCCCN3C=CN=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)NCCCN3C=CN=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H19N3OS.C2H2O4/c19-15(17-6-3-8-18-9-7-16-11-18)14-10-12-4-1-2-5-13(12)20-14;3-1(4)2(5)6/h7,9-11H,1-6,8H2,(H,17,19);(H,3,4)(H,5,6)