2-[(E)-(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methylideneamino]-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(E)-(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methylideneamino]-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(E)-(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyleneamino]-N-cyclohexyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(E)-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(E)-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(E)-(4-benzoxy-3-bromo-5-ethoxy-benzylidene)amino]-N-cyclohexyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C31H35BrN2O3S MolecularWeight: 595.5902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NC2=C(C3=C(S2)CCCC3)C(=O)NC4CCCCC4)Br)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=N/C2=C(C3=C(S2)CCCC3)C(=O)NC4CCCCC4)Br)OCC5=CC=CC=C5

InChI

InChI=1S/C31H35BrN2O3S/c1-2-36-26-18-22(17-25(32)29(26)37-20-21-11-5-3-6-12-21)19-33-31-28(24-15-9-10-16-27(24)38-31)30(35)34-23-13-7-4-8-14-23/h3,5-6,11-12,17-19,23H,2,4,7-10,13-16,20H2,1H3,(H,34,35)/b33-19+