N-(2-aminophenyl)-5-[[3-(1H-indol-3-yl)propanoylamino]methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-aminophenyl)-5-[[3-(1H-indol-3-yl)propanoylamino]methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(2-aminophenyl)-5-[[3-(1H-indol-3-yl)propanoylamino]methyl]benzothiophene-2-carboxamide CAS Name: N-(2-aminophenyl)-5-[[[3-(1H-indol-3-yl)-1-oxopropyl]amino]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-aminophenyl)-5-[[3-(1H-indol-3-yl)propanoylamino]methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(2-aminophenyl)-5-[[3-(1H-indol-3-yl)propanoylamino]methyl]benzothiophene-2-carboxamide Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCC(=O)NCC3=CC4=C(C=C3)SC(=C4)C(=O)NC5=CC=CC=C5N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCC(=O)NCC3=CC4=C(C=C3)SC(=C4)C(=O)NC5=CC=CC=C5N

InChI

InChI=1S/C27H24N4O2S/c28-21-6-2-4-8-23(21)31-27(33)25-14-19-13-17(9-11-24(19)34-25)15-30-26(32)12-10-18-16-29-22-7-3-1-5-20(18)22/h1-9,11,13-14,16,29H,10,12,15,28H2,(H,30,32)(H,31,33)