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

Systemtic Name: methyl N'-(1-adamantylmethyl)-N-propyl-carbamimidothioate Openeye Name: 3-(1-adamantylmethyl)-2-methyl-1-propyl-isothiourea CAS Name: N'-(1-adamantylmethyl)-N-propylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-(1-adamantylmethyl)-N-propylcarbamimidothioate Traditional Name: 3-(1-adamantylmethyl)-2-methyl-1-propyl-isothiourea Formula: C16H28N2S MolecularWeight: 280.47192

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=NCC12CC3CC(C1)CC(C3)C2)SC

Isomeric SMILES

CCCNC(=NCC12CC3CC(C1)CC(C3)C2)SC

InChI

InChI=1S/C16H28N2S/c1-3-4-17-15(19-2)18-11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,3-11H2,1-2H3,(H,17,18)