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

Systemtic Name: methyl N-(1-adamantylmethyl)-N'-(phenylmethyl)carbamimidothioate Openeye Name: 1-(1-adamantylmethyl)-3-benzyl-2-methyl-isothiourea CAS Name: N-(1-adamantylmethyl)-N'-(phenylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(1-adamantylmethyl)-N'-benzylcarbamimidothioate Traditional Name: 1-(1-adamantylmethyl)-3-benzyl-2-methyl-isothiourea Formula: C20H28N2S MolecularWeight: 328.51472

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=CC=CC=C1)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CSC(=NCC1=CC=CC=C1)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H28N2S/c1-23-19(21-13-15-5-3-2-4-6-15)22-14-20-10-16-7-17(11-20)9-18(8-16)12-20/h2-6,16-18H,7-14H2,1H3,(H,21,22)