[2-(2-adamantylamino)-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate Openeye Name: N-(2-adamantyl)-2-(N-cyclohexyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanyl-acetamide CAS Name: N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: N-(2-adamantyl)-2-[(N-cyclohexyl-N-methyl-N'-phenyl-amidino)thio]acetamide Formula: C26H37N3OS MolecularWeight: 439.65648

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCC(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCC(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C26H37N3OS/c1-29(23-10-6-3-7-11-23)26(27-22-8-4-2-5-9-22)31-17-24(30)28-25-20-13-18-12-19(15-20)16-21(25)14-18/h2,4-5,8-9,18-21,23,25H,3,6-7,10-17H2,1H3,(H,28,30)