N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-N-(2-thiomorpholin-4-ylcarbonyl-1-benzothiophen-5-yl)butanamide

Systemtic Name: N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-N-(2-thiomorpholin-4-ylcarbonyl-1-benzothiophen-5-yl)butanamide Openeye Name: N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-N-[2-(thiomorpholine-4-carbonyl)benzothiophen-5-yl]butanamide CAS Name: N-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]-N-[2-[oxo(thiomorpholin-4-yl)methyl]-1-benzothiophen-5-yl]butanamide IUPAC Name: N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-N-[2-(thiomorpholine-4-carbonyl)-1-benzothiophen-5-yl]butanamide Traditional Name: N-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]-N-[2-(thiomorpholine-4-carbonyl)benzothiophen-5-yl]butyramide Formula: C29H29N5O2S2 MolecularWeight: 543.70286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N5O2S2/c1-2-3-28(35)34(19-25-17-31-20-33(25)18-22-6-4-21(16-30)5-7-22)24-8-9-26-23(14-24)15-27(38-26)29(36)32-10-12-37-13-11-32/h4-9,14-15,17,20H,2-3,10-13,18-19H2,1H3