[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 5-azanyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 5-azanyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 5-aminobenzothiophene-2-carboxylate CAS Name: 5-amino-1-benzothiophene-2-carboxylic acid [2-[[oxo-[(6-phenyl-3-pyridazinyl)amino]methyl]amino]phenyl] ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 5-amino-1-benzothiophene-2-carboxylate Traditional Name: 5-aminobenzothiophene-2-carboxylic acid [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] ester Formula: C26H19N5O3S MolecularWeight: 481.52576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=O)NC3=CC=CC=C3OC(=O)C4=CC5=C(S4)C=CC(=C5)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=O)NC3=CC=CC=C3OC(=O)C4=CC5=C(S4)C=CC(=C5)N

InChI

InChI=1S/C26H19N5O3S/c27-18-10-12-22-17(14-18)15-23(35-22)25(32)34-21-9-5-4-8-20(21)28-26(33)29-24-13-11-19(30-31-24)16-6-2-1-3-7-16/h1-15H,27H2,(H2,28,29,31,33)