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

Systemtic Name: (5S)-N-(3-imidazol-1-ylpropyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: (5S)-N-(3-imidazol-1-ylpropyl)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: (5S)-N-[3-(1-imidazolyl)propyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: (5S)-N-(3-imidazol-1-ylpropyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: (5S)-N-(3-imidazol-1-ylpropyl)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3OS/c1-12-3-4-14-13(9-12)10-15(21-14)16(20)18-5-2-7-19-8-6-17-11-19/h6,8,10-12H,2-5,7,9H2,1H3,(H,18,20)/t12-/m0/s1