methyl N'-(1-adamantylmethyl)-N-phenethyl-carbamimidothioate

Systemtic Name: methyl N'-(1-adamantylmethyl)-N-phenethyl-carbamimidothioate Openeye Name: 3-(1-adamantylmethyl)-2-methyl-1-phenethyl-isothiourea CAS Name: N'-(1-adamantylmethyl)-N-phenethylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-(1-adamantylmethyl)-N-phenethylcarbamimidothioate Traditional Name: 3-(1-adamantylmethyl)-2-methyl-1-phenethyl-isothiourea Formula: C21H30N2S MolecularWeight: 342.5413

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC12CC3CC(C1)CC(C3)C2)NCCC4=CC=CC=C4

Isomeric SMILES

CSC(=NCC12CC3CC(C1)CC(C3)C2)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H30N2S/c1-24-20(22-8-7-16-5-3-2-4-6-16)23-15-21-12-17-9-18(13-21)11-19(10-17)14-21/h2-6,17-19H,7-15H2,1H3,(H,22,23)