1-(1-adamantyl)-3-[1-[(2,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]urea

Systemtic Name: 1-(1-adamantyl)-3-[1-[(2,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]urea Openeye Name: 1-(1-adamantyl)-3-[1-[(2,5-dimethylphenyl)carbamothioyl]-4-piperidyl]urea CAS Name: 1-(1-adamantyl)-3-[1-[(2,5-dimethylanilino)-sulfanylidenemethyl]-4-piperidinyl]urea IUPAC Name: 1-(1-adamantyl)-3-[1-[(2,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]urea Traditional Name: 1-(1-adamantyl)-3-[1-[(2,5-dimethylphenyl)thiocarbamoyl]-4-piperidyl]urea Formula: C25H36N4OS MolecularWeight: 440.64454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H36N4OS/c1-16-3-4-17(2)22(9-16)27-24(31)29-7-5-21(6-8-29)26-23(30)28-25-13-18-10-19(14-25)12-20(11-18)15-25/h3-4,9,18-21H,5-8,10-15H2,1-2H3,(H,27,31)(H2,26,28,30)