[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]methyl 3-azanyl-3-(4-bromophenyl)propanoate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]methyl 3-azanyl-3-(4-bromophenyl)propanoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]methyl 3-amino-3-(4-bromophenyl)propanoate CAS Name: 3-amino-3-(4-bromophenyl)propanoic acid [2-[[[(6-phenyl-3-pyridazinyl)amino]-sulfanylidenemethyl]amino]phenyl]methyl ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]methyl 3-amino-3-(4-bromophenyl)propanoate Traditional Name: 3-amino-3-(4-bromophenyl)propionic acid [2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]benzyl] ester Formula: C27H24BrN5O2S MolecularWeight: 562.48076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24BrN5O2S/c28-21-12-10-18(11-13-21)22(29)16-26(34)35-17-20-8-4-5-9-23(20)30-27(36)31-25-15-14-24(32-33-25)19-6-2-1-3-7-19/h1-15,22H,16-17,29H2,(H2,30,31,33,36)