N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-2-phenyl-N-(2-thiomorpholin-4-ylcarbonyl-1-benzothiophen-5-yl)ethanamide

Systemtic Name: N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-2-phenyl-N-(2-thiomorpholin-4-ylcarbonyl-1-benzothiophen-5-yl)ethanamide Openeye Name: N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-2-phenyl-N-[2-(thiomorpholine-4-carbonyl)benzothiophen-5-yl]acetamide CAS Name: N-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]-N-[2-[oxo(thiomorpholin-4-yl)methyl]-1-benzothiophen-5-yl]-2-phenylacetamide IUPAC Name: N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-2-phenyl-N-[2-(thiomorpholine-4-carbonyl)-1-benzothiophen-5-yl]acetamide Traditional Name: N-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]-2-phenyl-N-[2-(thiomorpholine-4-carbonyl)benzothiophen-5-yl]acetamide Formula: C33H29N5O2S2 MolecularWeight: 591.74566

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)C2=CC3=C(S2)C=CC(=C3)N(CC4=CN=CN4CC5=CC=C(C=C5)C#N)C(=O)CC6=CC=CC=C6

Isomeric SMILES

C1CSCCN1C(=O)C2=CC3=C(S2)C=CC(=C3)N(CC4=CN=CN4CC5=CC=C(C=C5)C#N)C(=O)CC6=CC=CC=C6

InChI

InChI=1S/C33H29N5O2S2/c34-19-25-6-8-26(9-7-25)21-37-23-35-20-29(37)22-38(32(39)16-24-4-2-1-3-5-24)28-10-11-30-27(17-28)18-31(42-30)33(40)36-12-14-41-15-13-36/h1-11,17-18,20,23H,12-16,21-22H2