2-[(5-bromanylpyridin-2-yl)carbamothioylamino]-2-phenyl-N-[4-(C-pyrrolidin-1-ylcarbonimidoyl)phenyl]ethanamide

Systemtic Name: 2-[(5-bromanylpyridin-2-yl)carbamothioylamino]-2-phenyl-N-[4-(C-pyrrolidin-1-ylcarbonimidoyl)phenyl]ethanamide Openeye Name: 2-[(5-bromo-2-pyridyl)carbamothioylamino]-2-phenyl-N-[4-(pyrrolidine-1-carboximidoyl)phenyl]acetamide CAS Name: 2-[[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-N-[4-[imino(1-pyrrolidinyl)methyl]phenyl]-2-phenylacetamide IUPAC Name: 2-[(5-bromopyridin-2-yl)carbamothioylamino]-2-phenyl-N-[4-(pyrrolidine-1-carboximidoyl)phenyl]acetamide Traditional Name: 2-[(5-bromo-2-pyridyl)thiocarbamoylamino]-2-phenyl-N-[4-(pyrrolidine-1-carboximidoyl)phenyl]acetamide Formula: C25H25BrN6OS MolecularWeight: 537.4746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=N)C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)NC(=S)NC4=NC=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)C(=N)C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)NC(=S)NC4=NC=C(C=C4)Br

InChI

InChI=1S/C25H25BrN6OS/c26-19-10-13-21(28-16-19)30-25(34)31-22(17-6-2-1-3-7-17)24(33)29-20-11-8-18(9-12-20)23(27)32-14-4-5-15-32/h1-3,6-13,16,22,27H,4-5,14-15H2,(H,29,33)(H2,28,30,31,34)