4-[[5-[[(3-butyl-2-piperidin-1-ylcarbonyl-1-benzothiophen-7-yl)amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[(3-butyl-2-piperidin-1-ylcarbonyl-1-benzothiophen-7-yl)amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[[3-butyl-2-(piperidine-1-carbonyl)benzothiophen-7-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[[3-butyl-2-[oxo(1-piperidinyl)methyl]-1-benzothiophen-7-yl]amino]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[[3-butyl-2-(piperidine-1-carbonyl)-1-benzothiophen-7-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[[3-butyl-2-(piperidine-1-carbonyl)benzothiophen-7-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C30H33N5OS MolecularWeight: 511.68092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(SC2=C1C=CC=C2NCC3=CN=CN3CC4=CC=C(C=C4)C#N)C(=O)N5CCCCC5

Isomeric SMILES

CCCCC1=C(SC2=C1C=CC=C2NCC3=CN=CN3CC4=CC=C(C=C4)C#N)C(=O)N5CCCCC5

InChI

InChI=1S/C30H33N5OS/c1-2-3-8-26-25-9-7-10-27(28(25)37-29(26)30(36)34-15-5-4-6-16-34)33-19-24-18-32-21-35(24)20-23-13-11-22(17-31)12-14-23/h7,9-14,18,21,33H,2-6,8,15-16,19-20H2,1H3