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

Systemtic Name: 4-[[5-[[butyl-(2-thiomorpholin-4-ylcarbonyl-1-benzothiophen-5-yl)amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[butyl-[2-(thiomorpholine-4-carbonyl)benzothiophen-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[butyl-[2-[oxo(thiomorpholin-4-yl)methyl]-1-benzothiophen-5-yl]amino]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[butyl-[2-(thiomorpholine-4-carbonyl)-1-benzothiophen-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[butyl-[2-(thiomorpholine-4-carbonyl)benzothiophen-5-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=CC4=C(C=C3)SC(=C4)C(=O)N5CCSCC5

Isomeric SMILES

CCCCN(CC1=CN=CN1CC2=CC=C(C=C2)C#N)C3=CC4=C(C=C3)SC(=C4)C(=O)N5CCSCC5

InChI

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