N-(2-aminophenyl)-5-[[(4-ethoxyphenyl)methylamino]methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-aminophenyl)-5-[[(4-ethoxyphenyl)methylamino]methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(2-aminophenyl)-5-[[(4-ethoxyphenyl)methylamino]methyl]benzothiophene-2-carboxamide CAS Name: N-(2-aminophenyl)-5-[[(4-ethoxyphenyl)methylamino]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-aminophenyl)-5-[[(4-ethoxyphenyl)methylamino]methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(2-aminophenyl)-5-[[(4-ethoxybenzyl)amino]methyl]benzothiophene-2-carboxamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNCC2=CC3=C(C=C2)SC(=C3)C(=O)NC4=CC=CC=C4N

Isomeric SMILES

CCOC1=CC=C(C=C1)CNCC2=CC3=C(C=C2)SC(=C3)C(=O)NC4=CC=CC=C4N

InChI

InChI=1S/C25H25N3O2S/c1-2-30-20-10-7-17(8-11-20)15-27-16-18-9-12-23-19(13-18)14-24(31-23)25(29)28-22-6-4-3-5-21(22)26/h3-14,27H,2,15-16,26H2,1H3,(H,28,29)