2-(2-imidazol-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-(2-imidazol-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(2-imidazol-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(1-imidazolyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(2-imidazol-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(2-imidazol-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=CN=C3)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=CN=C3)C(=O)N

InChI

InChI=1S/C14H16N4O2S/c15-13(20)12-9-3-1-2-4-10(9)21-14(12)17-11(19)7-18-6-5-16-8-18/h5-6,8H,1-4,7H2,(H2,15,20)(H,17,19)