2-[2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl]ethyl 5-azanyl-1-benzothiophene-2-carboxylate

Systemtic Name: 2-[2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl]ethyl 5-azanyl-1-benzothiophene-2-carboxylate Openeye Name: 2-[2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl]ethyl 5-aminobenzothiophene-2-carboxylate CAS Name: 5-amino-1-benzothiophene-2-carboxylic acid 2-[2-[[amino-[(6-phenyl-3-pyridazinyl)imino]methyl]amino]phenyl]ethyl ester IUPAC Name: 2-[2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl]ethyl 5-amino-1-benzothiophene-2-carboxylate Traditional Name: 5-aminobenzothiophene-2-carboxylic acid 2-[2-[[N'-(6-phenylpyridazin-3-yl)amidino]amino]phenyl]ethyl ester Formula: C28H24N6O2S MolecularWeight: 508.59416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C=C2)N=C(N)NC3=CC=CC=C3CCOC(=O)C4=CC5=C(S4)C=CC(=C5)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)N=C(N)NC3=CC=CC=C3CCOC(=O)C4=CC5=C(S4)C=CC(=C5)N

InChI

InChI=1S/C28H24N6O2S/c29-21-10-12-24-20(16-21)17-25(37-24)27(35)36-15-14-19-8-4-5-9-22(19)31-28(30)32-26-13-11-23(33-34-26)18-6-2-1-3-7-18/h1-13,16-17H,14-15,29H2,(H3,30,31,32,34)