3-chloranyl-N-[(2-ethoxy-5-phenyl-phenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2-ethoxy-5-phenyl-phenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2-ethoxy-5-phenyl-phenyl)methyl]-N-[4-(methylamino)cyclohexyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2-ethoxy-5-phenylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2-ethoxy-5-phenylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(2-ethoxy-5-phenyl-benzyl)-N-[4-(methylamino)cyclohexyl]benzothiophene-2-carboxamide Formula: C31H33ClN2O2S MolecularWeight: 533.12392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=CC=CC=C2)CN(C3CCC(CC3)NC)C(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=CC=CC=C2)CN(C3CCC(CC3)NC)C(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C31H33ClN2O2S/c1-3-36-27-18-13-22(21-9-5-4-6-10-21)19-23(27)20-34(25-16-14-24(33-2)15-17-25)31(35)30-29(32)26-11-7-8-12-28(26)37-30/h4-13,18-19,24-25,33H,3,14-17,20H2,1-2H3