N,3-dibutyl-7-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-1-benzothiophene-2-carboxamide

Systemtic Name: N,3-dibutyl-7-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-1-benzothiophene-2-carboxamide Openeye Name: N,3-dibutyl-7-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]benzothiophene-2-carboxamide CAS Name: N,3-dibutyl-7-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methylamino]-1-benzothiophene-2-carboxamide IUPAC Name: N,3-dibutyl-7-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-1-benzothiophene-2-carboxamide Traditional Name: N,3-dibutyl-7-[[3-(4-cyanobenzyl)imidazol-4-yl]methylamino]benzothiophene-2-carboxamide Formula: C29H33N5OS MolecularWeight: 499.67022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(SC2=C1C=CC=C2NCC3=CN=CN3CC4=CC=C(C=C4)C#N)C(=O)NCCCC

Isomeric SMILES

CCCCC1=C(SC2=C1C=CC=C2NCC3=CN=CN3CC4=CC=C(C=C4)C#N)C(=O)NCCCC

InChI

InChI=1S/C29H33N5OS/c1-3-5-8-25-24-9-7-10-26(27(24)36-28(25)29(35)32-15-6-4-2)33-18-23-17-31-20-34(23)19-22-13-11-21(16-30)12-14-22/h7,9-14,17,20,33H,3-6,8,15,18-19H2,1-2H3,(H,32,35)