(5S)-5-ethyl-N-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: (5S)-5-ethyl-N-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: (5S)-5-ethyl-N-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: (5S)-5-ethyl-N-[3-(1-imidazolyl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: (5S)-5-ethyl-N-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: (5S)-5-ethyl-N-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C17H23N3OS/c1-2-13-4-5-15-14(10-13)11-16(22-15)17(21)19-6-3-8-20-9-7-18-12-20/h7,9,11-13H,2-6,8,10H2,1H3,(H,19,21)/t13-/m0/s1