1-(1-adamantyl)-3-[(5-tert-butyl-2-methyl-furan-3-yl)carbonylamino]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[(5-tert-butyl-2-methyl-furan-3-yl)carbonylamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[(5-tert-butyl-2-methyl-furan-3-carbonyl)amino]thiourea CAS Name: 1-(1-adamantyl)-3-[[(5-tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]thiourea Traditional Name: 1-(1-adamantyl)-3-[(5-tert-butyl-2-methyl-3-furoyl)amino]thiourea Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(C)(C)C)C(=O)NNC(=S)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(O1)C(C)(C)C)C(=O)NNC(=S)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H31N3O2S/c1-12-16(8-17(26-12)20(2,3)4)18(25)23-24-19(27)22-21-9-13-5-14(10-21)7-15(6-13)11-21/h8,13-15H,5-7,9-11H2,1-4H3,(H,23,25)(H2,22,24,27)