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

Systemtic Name: 4-[[5-[[(2-thiomorpholin-4-ylcarbonyl-1-benzothiophen-4-yl)amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[[2-(thiomorpholine-4-carbonyl)benzothiophen-4-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[[2-[oxo(thiomorpholin-4-yl)methyl]-1-benzothiophen-4-yl]amino]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[[2-(thiomorpholine-4-carbonyl)-1-benzothiophen-4-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[[2-(thiomorpholine-4-carbonyl)benzothiophen-4-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C25H23N5OS2 MolecularWeight: 473.61302

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)C2=CC3=C(C=CC=C3S2)NCC4=CN=CN4CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CSCCN1C(=O)C2=CC3=C(C=CC=C3S2)NCC4=CN=CN4CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H23N5OS2/c26-13-18-4-6-19(7-5-18)16-30-17-27-14-20(30)15-28-22-2-1-3-23-21(22)12-24(33-23)25(31)29-8-10-32-11-9-29/h1-7,12,14,17,28H,8-11,15-16H2