methyl N'-cyclooctyl-N-(1H-indazol-6-yl)carbamimidothioate

Systemtic Name: methyl N'-cyclooctyl-N-(1H-indazol-6-yl)carbamimidothioate Openeye Name: 3-cyclooctyl-1-(1H-indazol-6-yl)-2-methyl-isothiourea CAS Name: N'-cyclooctyl-N-(1H-indazol-6-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-cyclooctyl-N-(1H-indazol-6-yl)carbamimidothioate Traditional Name: 3-cyclooctyl-1-(1H-indazol-6-yl)-2-methyl-isothiourea Formula: C17H24N4S MolecularWeight: 316.46426

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1CCCCCCC1)NC2=CC3=C(C=C2)C=NN3

Isomeric SMILES

CSC(=NC1CCCCCCC1)NC2=CC3=C(C=C2)C=NN3

InChI

InChI=1S/C17H24N4S/c1-22-17(19-14-7-5-3-2-4-6-8-14)20-15-10-9-13-12-18-21-16(13)11-15/h9-12,14H,2-8H2,1H3,(H,18,21)(H,19,20)