1-(1-adamantylcarbamothioylamino)-3-[2,6-di(propan-2-yl)phenyl]urea

Systemtic Name: 1-(1-adamantylcarbamothioylamino)-3-[2,6-di(propan-2-yl)phenyl]urea Openeye Name: 1-(1-adamantylcarbamothioylamino)-3-(2,6-diisopropylphenyl)urea CAS Name: 1-[[(1-adamantylamino)-sulfanylidenemethyl]amino]-3-[2,6-di(propan-2-yl)phenyl]urea IUPAC Name: 1-(1-adamantylcarbamothioylamino)-3-[2,6-di(propan-2-yl)phenyl]urea Traditional Name: 1-(1-adamantylthiocarbamoylamino)-3-(2,6-diisopropylphenyl)urea Formula: C24H36N4OS MolecularWeight: 428.63384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NNC(=S)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NNC(=S)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H36N4OS/c1-14(2)19-6-5-7-20(15(3)4)21(19)25-22(29)27-28-23(30)26-24-11-16-8-17(12-24)10-18(9-16)13-24/h5-7,14-18H,8-13H2,1-4H3,(H2,25,27,29)(H2,26,28,30)