N-(2-aminophenyl)-6-[2-oxidanylidene-2-[(phenylmethyl)amino]-1-(2-pyridin-4-ylethylamino)ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-aminophenyl)-6-[2-oxidanylidene-2-[(phenylmethyl)amino]-1-(2-pyridin-4-ylethylamino)ethyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(2-aminophenyl)-6-[2-(benzylamino)-2-oxo-1-[2-(4-pyridyl)ethylamino]ethyl]benzothiophene-2-carboxamide CAS Name: N-(2-aminophenyl)-6-[2-oxo-2-[(phenylmethyl)amino]-1-(2-pyridin-4-ylethylamino)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-aminophenyl)-6-[2-(benzylamino)-2-oxo-1-(2-pyridin-4-ylethylamino)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(2-aminophenyl)-6-[2-(benzylamino)-2-keto-1-[2-(4-pyridyl)ethylamino]ethyl]benzothiophene-2-carboxamide Formula: C31H29N5O2S MolecularWeight: 535.65926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(C2=CC3=C(C=C2)C=C(S3)C(=O)NC4=CC=CC=C4N)NCCC5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(C2=CC3=C(C=C2)C=C(S3)C(=O)NC4=CC=CC=C4N)NCCC5=CC=NC=C5

InChI

InChI=1S/C31H29N5O2S/c32-25-8-4-5-9-26(25)36-30(37)28-18-23-10-11-24(19-27(23)39-28)29(34-17-14-21-12-15-33-16-13-21)31(38)35-20-22-6-2-1-3-7-22/h1-13,15-16,18-19,29,34H,14,17,20,32H2,(H,35,38)(H,36,37)