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1-(1-adamantyl)-3-[2-(phenylmethylsulfanyl)propanoylamino]thiourea

1-(1-adamantyl)-3-[2-(phenylmethylsulfanyl)propanoylamino]thiourea

Systemtic Name:1-(1-adamantyl)-3-[2-(phenylmethylsulfanyl)propanoylamino]thiourea
Openeye Name:1-(1-adamantyl)-3-(2-benzylsulfanylpropanoylamino)thiourea
CAS Name:1-(1-adamantyl)-3-[[1-oxo-2-(phenylmethylthio)propyl]amino]thiourea
IUPAC Name:1-(1-adamantyl)-3-(2-benzylsulfanylpropanoylamino)thiourea
Traditional Name:1-(1-adamantyl)-3-[2-(benzylthio)propanoylamino]thiourea
Formula: C21H29N3OS2
MolecularWeight: 403.60446
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC12CC3CC(C1)CC(C3)C2)SCC4=CC=CC=C4


Isomeric SMILES

CC(C(=O)NNC(=S)NC12CC3CC(C1)CC(C3)C2)SCC4=CC=CC=C4


InChI

InChI=1S/C21H29N3OS2/c1-14(27-13-15-5-3-2-4-6-15)19(25)23-24-20(26)22-21-10-16-7-17(11-21)9-18(8-16)12-21/h2-6,14,16-18H,7-13H2,1H3,(H,23,25)(H2,22,24,26)


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