1-(1-adamantyl)-3-[(2-pentylsulfanylpyridin-3-yl)carbonylamino]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[(2-pentylsulfanylpyridin-3-yl)carbonylamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[(2-pentylsulfanylpyridine-3-carbonyl)amino]thiourea CAS Name: 1-(1-adamantyl)-3-[[oxo-[2-(pentylthio)-3-pyridinyl]methyl]amino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(2-pentylsulfanylpyridine-3-carbonyl)amino]thiourea Traditional Name: 1-(1-adamantyl)-3-[[2-(amylthio)nicotinoyl]amino]thiourea Formula: C22H32N4OS2 MolecularWeight: 432.64568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)NNC(=S)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)NNC(=S)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H32N4OS2/c1-2-3-4-8-29-20-18(6-5-7-23-20)19(27)25-26-21(28)24-22-12-15-9-16(13-22)11-17(10-15)14-22/h5-7,15-17H,2-4,8-14H2,1H3,(H,25,27)(H2,24,26,28)