2-[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]ethyl 3-azanyl-3-(4-phenylpiperazin-1-yl)prop-2-enoate

Systemtic Name: 2-[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]ethyl 3-azanyl-3-(4-phenylpiperazin-1-yl)prop-2-enoate Openeye Name: 2-[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]ethyl 3-amino-3-(4-phenylpiperazin-1-yl)prop-2-enoate CAS Name: 3-amino-3-(4-phenyl-1-piperazinyl)-2-propenoic acid 2-[2-[[[(6-phenyl-3-pyridazinyl)amino]-sulfanylidenemethyl]amino]phenyl]ethyl ester IUPAC Name: 2-[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]ethyl 3-amino-3-(4-phenylpiperazin-1-yl)prop-2-enoate Traditional Name: 3-amino-3-(4-phenylpiperazino)acrylic acid 2-[2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]phenyl]ethyl ester Formula: C32H33N7O2S MolecularWeight: 579.71512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=CC(=O)OCCC3=CC=CC=C3NC(=S)NC4=NN=C(C=C4)C5=CC=CC=C5)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=CC(=O)OCCC3=CC=CC=C3NC(=S)NC4=NN=C(C=C4)C5=CC=CC=C5)N

InChI

InChI=1S/C32H33N7O2S/c33-29(39-20-18-38(19-21-39)26-12-5-2-6-13-26)23-31(40)41-22-17-25-11-7-8-14-27(25)34-32(42)35-30-16-15-28(36-37-30)24-9-3-1-4-10-24/h1-16,23H,17-22,33H2,(H2,34,35,37,42)