[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate

Systemtic Name: [2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate Openeye Name: N-(5-bromo-2-pyridyl)-2-(N-cyclohexyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanyl-acetamide CAS Name: N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioic acid [2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromopyridin-2-yl)amino]-2-oxoethyl] N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: N-(5-bromo-2-pyridyl)-2-[(N-cyclohexyl-N-methyl-N'-phenyl-amidino)thio]acetamide Formula: C21H25BrN4OS MolecularWeight: 461.4184

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NC=C(C=C3)Br

Isomeric SMILES

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN4OS/c1-26(18-10-6-3-7-11-18)21(24-17-8-4-2-5-9-17)28-15-20(27)25-19-13-12-16(22)14-23-19/h2,4-5,8-9,12-14,18H,3,6-7,10-11,15H2,1H3,(H,23,25,27)