2-[[bis(phenylmethyl)amino]methyl]-9-oxidanyl-4H-thieno[2,3-c]isoquinolin-5-one

Systemtic Name: 2-[[bis(phenylmethyl)amino]methyl]-9-oxidanyl-4H-thieno[2,3-c]isoquinolin-5-one Openeye Name: 2-[(dibenzylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one CAS Name: 2-[[bis(phenylmethyl)amino]methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one IUPAC Name: 2-[(dibenzylamino)methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one Traditional Name: 2-[(dibenzylamino)methyl]-9-hydroxy-4H-thien[2,3-c]isoquinolin-5-one Formula: C26H22N2O2S MolecularWeight: 426.53008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC3=CC4=C(S3)NC(=O)C5=C4C(=CC=C5)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC3=CC4=C(S3)NC(=O)C5=C4C(=CC=C5)O

InChI

InChI=1S/C26H22N2O2S/c29-23-13-7-12-21-24(23)22-14-20(31-26(22)27-25(21)30)17-28(15-18-8-3-1-4-9-18)16-19-10-5-2-6-11-19/h1-14,29H,15-17H2,(H,27,30)