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

Systemtic Name: 4-[[5-[[propyl-(2-thiomorpholin-4-ylcarbonyl-1-benzothiophen-5-yl)amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[propyl-[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]-propylamino]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[propyl-[2-(thiomorpholine-4-carbonyl)-1-benzothiophen-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[propyl-[2-(thiomorpholine-4-carbonyl)benzothiophen-5-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C28H29N5OS2 MolecularWeight: 515.69276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5OS2/c1-2-9-32(19-25-17-30-20-33(25)18-22-5-3-21(16-29)4-6-22)24-7-8-26-23(14-24)15-27(36-26)28(34)31-10-12-35-13-11-31/h3-8,14-15,17,20H,2,9-13,18-19H2,1H3