1-(1-adamantyl)-3-[2-(2,5-dimethoxyphenyl)ethylcarbamothioylamino]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[2-(2,5-dimethoxyphenyl)ethylcarbamothioylamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[2-(2,5-dimethoxyphenyl)ethylcarbamothioylamino]thiourea CAS Name: 1-(1-adamantyl)-3-[[[2-(2,5-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[2-(2,5-dimethoxyphenyl)ethylcarbamothioylamino]thiourea Traditional Name: 1-(1-adamantyl)-3-[2-(2,5-dimethoxyphenyl)ethylthiocarbamoylamino]thiourea Formula: C22H32N4O2S2 MolecularWeight: 448.64508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CCNC(=S)NNC(=S)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CCNC(=S)NNC(=S)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H32N4O2S2/c1-27-18-3-4-19(28-2)17(10-18)5-6-23-20(29)25-26-21(30)24-22-11-14-7-15(12-22)9-16(8-14)13-22/h3-4,10,14-16H,5-9,11-13H2,1-2H3,(H2,23,25,29)(H2,24,26,30)