N-(2-aminophenyl)-5-[(3-phenylpropanoylamino)methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-aminophenyl)-5-[(3-phenylpropanoylamino)methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(2-aminophenyl)-5-[(3-phenylpropanoylamino)methyl]benzothiophene-2-carboxamide CAS Name: N-(2-aminophenyl)-5-[[(1-oxo-3-phenylpropyl)amino]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-aminophenyl)-5-[(3-phenylpropanoylamino)methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(2-aminophenyl)-5-[(hydrocinnamoylamino)methyl]benzothiophene-2-carboxamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NCC2=CC3=C(C=C2)SC(=C3)C(=O)NC4=CC=CC=C4N

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NCC2=CC3=C(C=C2)SC(=C3)C(=O)NC4=CC=CC=C4N

InChI

InChI=1S/C25H23N3O2S/c26-20-8-4-5-9-21(20)28-25(30)23-15-19-14-18(10-12-22(19)31-23)16-27-24(29)13-11-17-6-2-1-3-7-17/h1-10,12,14-15H,11,13,16,26H2,(H,27,29)(H,28,30)