[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate

Systemtic Name: [2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate Openeye Name: [2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl] 4-benzyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: N-phenyl-4-(phenylmethyl)-1-piperazinecarboximidothioic acid [2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromopyridin-2-yl)amino]-2-oxoethyl] 4-benzyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-benzyl-N-phenyl-piperazine-1-carboximidothioic acid [2-[(5-bromo-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C25H26BrN5OS MolecularWeight: 524.47584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=NC3=CC=CC=C3)SCC(=O)NC4=NC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=NC3=CC=CC=C3)SCC(=O)NC4=NC=C(C=C4)Br

InChI

InChI=1S/C25H26BrN5OS/c26-21-11-12-23(27-17-21)29-24(32)19-33-25(28-22-9-5-2-6-10-22)31-15-13-30(14-16-31)18-20-7-3-1-4-8-20/h1-12,17H,13-16,18-19H2,(H,27,29,32)