1-(1-adamantyl)-3-[1-[(3-methoxyphenyl)carbamothioyl]piperidin-4-yl]urea

Systemtic Name: 1-(1-adamantyl)-3-[1-[(3-methoxyphenyl)carbamothioyl]piperidin-4-yl]urea Openeye Name: 1-(1-adamantyl)-3-[1-[(3-methoxyphenyl)carbamothioyl]-4-piperidyl]urea CAS Name: 1-(1-adamantyl)-3-[1-[(3-methoxyanilino)-sulfanylidenemethyl]-4-piperidinyl]urea IUPAC Name: 1-(1-adamantyl)-3-[1-[(3-methoxyphenyl)carbamothioyl]piperidin-4-yl]urea Traditional Name: 1-(1-adamantyl)-3-[1-[(3-methoxyphenyl)thiocarbamoyl]-4-piperidyl]urea Formula: C24H34N4O2S MolecularWeight: 442.61736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H34N4O2S/c1-30-21-4-2-3-20(12-21)26-23(31)28-7-5-19(6-8-28)25-22(29)27-24-13-16-9-17(14-24)11-18(10-16)15-24/h2-4,12,16-19H,5-11,13-15H2,1H3,(H,26,31)(H2,25,27,29)