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

Systemtic Name: 3-chloranyl-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(methylamino)cyclohexyl]-N-[[3-(4-pyridyl)phenyl]methyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(methylamino)cyclohexyl]-N-[3-(4-pyridyl)benzyl]benzothiophene-2-carboxamide Formula: C28H28ClN3OS MolecularWeight: 490.05942

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CCC(CC1)N(CC2=CC=CC(=C2)C3=CC=NC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

CNC1CCC(CC1)N(CC2=CC=CC(=C2)C3=CC=NC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3