N-(4-azanylcyclohexyl)-3-chloranyl-N-[(3-pyridin-3-ylphenyl)methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-chloranyl-N-[(3-pyridin-3-ylphenyl)methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-3-chloro-N-[[3-(3-pyridyl)phenyl]methyl]benzothiophene-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-3-chloro-N-[[3-(3-pyridinyl)phenyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-3-chloro-N-[(3-pyridin-3-ylphenyl)methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-3-chloro-N-[3-(3-pyridyl)benzyl]benzothiophene-2-carboxamide Formula: C27H26ClN3OS MolecularWeight: 476.03284

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC=CC(=C2)C3=CN=CC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC=CC(=C2)C3=CN=CC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C27H26ClN3OS/c28-25-23-8-1-2-9-24(23)33-26(25)27(32)31(22-12-10-21(29)11-13-22)17-18-5-3-6-19(15-18)20-7-4-14-30-16-20/h1-9,14-16,21-22H,10-13,17,29H2