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

Systemtic Name: 4-[[5-[[ethyl-(2-thiomorpholin-4-ylcarbonyl-1-benzothiophen-5-yl)amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[ethyl-[2-(thiomorpholine-4-carbonyl)benzothiophen-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[ethyl-[2-[oxo(thiomorpholin-4-yl)methyl]-1-benzothiophen-5-yl]amino]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[ethyl-[2-(thiomorpholine-4-carbonyl)-1-benzothiophen-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[ethyl-[2-(thiomorpholine-4-carbonyl)benzothiophen-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C27H27N5OS2 MolecularWeight: 501.66618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5OS2/c1-2-30(18-24-16-29-19-32(24)17-21-5-3-20(15-28)4-6-21)23-7-8-25-22(13-23)14-26(35-25)27(33)31-9-11-34-12-10-31/h3-8,13-14,16,19H,2,9-12,17-18H2,1H3