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

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioate Openeye Name: N-(2-adamantyl)-2-(N-benzyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanyl-acetamide CAS Name: N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] N-benzyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: N-(2-adamantyl)-2-[(N-benzyl-N-methyl-N'-phenyl-amidino)thio]acetamide Formula: C27H33N3OS MolecularWeight: 447.63542

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=NC2=CC=CC=C2)SCC(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=NC2=CC=CC=C2)SCC(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C27H33N3OS/c1-30(17-19-8-4-2-5-9-19)27(28-24-10-6-3-7-11-24)32-18-25(31)29-26-22-13-20-12-21(15-22)16-23(26)14-20/h2-11,20-23,26H,12-18H2,1H3,(H,29,31)