N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[[2-(1-imidazolylmethyl)phenyl]methyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(imidazol-1-ylmethyl)benzyl]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC=CC=C3CN4C=CN=C4

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC=CC=C3CN4C=CN=C4

InChI

InChI=1S/C21H23N3OS/c1-15-6-7-19-18(10-15)11-20(26-19)21(25)23-12-16-4-2-3-5-17(16)13-24-9-8-22-14-24/h2-5,8-9,11,14-15H,6-7,10,12-13H2,1H3,(H,23,25)