4-[[5-[[butyl-(2-thiomorpholin-4-ylcarbonyl-1-benzothiophen-4-yl)amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[butyl-(2-thiomorpholin-4-ylcarbonyl-1-benzothiophen-4-yl)amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[butyl-[2-(thiomorpholine-4-carbonyl)benzothiophen-4-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[butyl-[2-[oxo(thiomorpholin-4-yl)methyl]-1-benzothiophen-4-yl]amino]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[butyl-[2-(thiomorpholine-4-carbonyl)-1-benzothiophen-4-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[butyl-[2-(thiomorpholine-4-carbonyl)benzothiophen-4-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C29H31N5OS2 MolecularWeight: 529.71934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CN=CN1CC2=CC=C(C=C2)C#N)C3=C4C=C(SC4=CC=C3)C(=O)N5CCSCC5

Isomeric SMILES

CCCCN(CC1=CN=CN1CC2=CC=C(C=C2)C#N)C3=C4C=C(SC4=CC=C3)C(=O)N5CCSCC5

InChI

InChI=1S/C29H31N5OS2/c1-2-3-11-33(20-24-18-31-21-34(24)19-23-9-7-22(17-30)8-10-23)26-5-4-6-27-25(26)16-28(37-27)29(35)32-12-14-36-15-13-32/h4-10,16,18,21H,2-3,11-15,19-20H2,1H3