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

Systemtic Name: 4-[[5-[[phenethyl-(2-thiomorpholin-4-ylcarbonyl-1-benzothiophen-5-yl)amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[phenethyl-[2-(thiomorpholine-4-carbonyl)benzothiophen-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[[2-[oxo(thiomorpholin-4-yl)methyl]-1-benzothiophen-5-yl]-phenethylamino]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[phenethyl-[2-(thiomorpholine-4-carbonyl)-1-benzothiophen-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[phenethyl-[2-(thiomorpholine-4-carbonyl)benzothiophen-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C33H31N5OS2 MolecularWeight: 577.76214

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)C2=CC3=C(S2)C=CC(=C3)N(CCC4=CC=CC=C4)CC5=CN=CN5CC6=CC=C(C=C6)C#N

Isomeric SMILES

C1CSCCN1C(=O)C2=CC3=C(S2)C=CC(=C3)N(CCC4=CC=CC=C4)CC5=CN=CN5CC6=CC=C(C=C6)C#N

InChI

InChI=1S/C33H31N5OS2/c34-20-26-6-8-27(9-7-26)22-38-24-35-21-30(38)23-37(13-12-25-4-2-1-3-5-25)29-10-11-31-28(18-29)19-32(41-31)33(39)36-14-16-40-17-15-36/h1-11,18-19,21,24H,12-17,22-23H2