N-(2-aminophenyl)-6-[[[1-(4-methoxyphenyl)-3-oxidanyl-propyl]amino]methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-aminophenyl)-6-[[[1-(4-methoxyphenyl)-3-oxidanyl-propyl]amino]methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(2-aminophenyl)-6-[[[3-hydroxy-1-(4-methoxyphenyl)propyl]amino]methyl]benzothiophene-2-carboxamide CAS Name: N-(2-aminophenyl)-6-[[[3-hydroxy-1-(4-methoxyphenyl)propyl]amino]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-aminophenyl)-6-[[[3-hydroxy-1-(4-methoxyphenyl)propyl]amino]methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(2-aminophenyl)-6-[[[3-hydroxy-1-(4-methoxyphenyl)propyl]amino]methyl]benzothiophene-2-carboxamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CCO)NCC2=CC3=C(C=C2)C=C(S3)C(=O)NC4=CC=CC=C4N

Isomeric SMILES

COC1=CC=C(C=C1)C(CCO)NCC2=CC3=C(C=C2)C=C(S3)C(=O)NC4=CC=CC=C4N

InChI

InChI=1S/C26H27N3O3S/c1-32-20-10-8-18(9-11-20)22(12-13-30)28-16-17-6-7-19-15-25(33-24(19)14-17)26(31)29-23-5-3-2-4-21(23)27/h2-11,14-15,22,28,30H,12-13,16,27H2,1H3,(H,29,31)