2-(1-benzothiophen-3-yl)-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]ethanamide

Systemtic Name: 2-(1-benzothiophen-3-yl)-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]ethanamide Openeye Name: 2-(benzothiophen-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]acetamide CAS Name: 2-(1-benzothiophen-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]acetamide IUPAC Name: 2-(1-benzothiophen-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]acetamide Traditional Name: 2-(benzothiophen-3-yl)-N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C2NCCCNC(=O)CC3=CSC4=CC=CC=C43

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C2NCCCNC(=O)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C21H20N4O2S/c26-19(12-14-13-28-18-9-4-3-6-15(14)18)22-10-5-11-23-20-16-7-1-2-8-17(16)21(27)25-24-20/h1-4,6-9,13H,5,10-12H2,(H,22,26)(H,23,24)(H,25,27)