[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 3-azanyl-3-thiophen-2-yl-propanoate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 3-azanyl-3-thiophen-2-yl-propanoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 3-amino-3-(2-thienyl)propanoate CAS Name: 3-amino-3-thiophen-2-ylpropanoic acid [2-[[oxo-[(6-phenyl-3-pyridazinyl)amino]methyl]amino]phenyl]methyl ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 3-amino-3-thiophen-2-ylpropanoate Traditional Name: 3-amino-3-(2-thienyl)propionic acid [2-[(6-phenylpyridazin-3-yl)carbamoylamino]benzyl] ester Formula: C25H23N5O3S MolecularWeight: 473.54682

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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=C3COC(=O)CC(C4=CC=CS4)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=O)NC3=CC=CC=C3COC(=O)CC(C4=CC=CS4)N

InChI

InChI=1S/C25H23N5O3S/c26-19(22-11-6-14-34-22)15-24(31)33-16-18-9-4-5-10-20(18)27-25(32)28-23-13-12-21(29-30-23)17-7-2-1-3-8-17/h1-14,19H,15-16,26H2,(H2,27,28,30,32)