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

Systemtic Name: [2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioate Openeye Name: 2-(N-benzyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanyl-N-(5-bromo-2-pyridyl)acetamide CAS Name: N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioic acid [2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromopyridin-2-yl)amino]-2-oxoethyl] N-benzyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 2-[(N-benzyl-N-methyl-N'-phenyl-amidino)thio]-N-(5-bromo-2-pyridyl)acetamide Formula: C22H21BrN4OS MolecularWeight: 469.39734

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NC=C(C=C3)Br

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C22H21BrN4OS/c1-27(15-17-8-4-2-5-9-17)22(25-19-10-6-3-7-11-19)29-16-21(28)26-20-13-12-18(23)14-24-20/h2-14H,15-16H2,1H3,(H,24,26,28)