2-[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]ethyl 2-(2-azanyl-1,3-thiazol-4-yl)benzoate

Systemtic Name: 2-[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]ethyl 2-(2-azanyl-1,3-thiazol-4-yl)benzoate Openeye Name: 2-[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]ethyl 2-(2-aminothiazol-4-yl)benzoate CAS Name: 2-(2-amino-4-thiazolyl)benzoic acid 2-[2-[[[(6-phenyl-3-pyridazinyl)amino]-sulfanylidenemethyl]amino]phenyl]ethyl ester IUPAC Name: 2-[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]ethyl 2-(2-amino-1,3-thiazol-4-yl)benzoate Traditional Name: 2-(2-aminothiazol-4-yl)benzoic acid 2-[2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]phenyl]ethyl ester Formula: C29H24N6O2S2 MolecularWeight: 552.66986

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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=C3CCOC(=O)C4=CC=CC=C4C5=CSC(=N5)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=S)NC3=CC=CC=C3CCOC(=O)C4=CC=CC=C4C5=CSC(=N5)N

InChI

InChI=1S/C29H24N6O2S2/c30-28-31-25(18-39-28)21-11-5-6-12-22(21)27(36)37-17-16-20-10-4-7-13-23(20)32-29(38)33-26-15-14-24(34-35-26)19-8-2-1-3-9-19/h1-15,18H,16-17H2,(H2,30,31)(H2,32,33,35,38)