N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[[4-(1-imidazolylmethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[4-(imidazol-1-ylmethyl)benzyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NCC3=CC=C(C=C3)CN4C=CN=C4

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NCC3=CC=C(C=C3)CN4C=CN=C4

InChI

InChI=1S/C20H21N3OS/c24-20(18-13-25-19-4-2-1-3-17(18)19)22-11-15-5-7-16(8-6-15)12-23-10-9-21-14-23/h5-10,13-14H,1-4,11-12H2,(H,22,24)