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

Systemtic Name: 1-(1-adamantyl)-3-[1-[(4-ethoxyphenyl)carbamothioyl]piperidin-4-yl]urea Openeye Name: 1-(1-adamantyl)-3-[1-[(4-ethoxyphenyl)carbamothioyl]-4-piperidyl]urea CAS Name: 1-(1-adamantyl)-3-[1-[(4-ethoxyanilino)-sulfanylidenemethyl]-4-piperidinyl]urea IUPAC Name: 1-(1-adamantyl)-3-[1-[(4-ethoxyphenyl)carbamothioyl]piperidin-4-yl]urea Traditional Name: 1-(1-adamantyl)-3-[1-(p-phenetylthiocarbamoyl)-4-piperidyl]urea Formula: C25H36N4O2S MolecularWeight: 456.64394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H36N4O2S/c1-2-31-22-5-3-20(4-6-22)27-24(32)29-9-7-21(8-10-29)26-23(30)28-25-14-17-11-18(15-25)13-19(12-17)16-25/h3-6,17-19,21H,2,7-16H2,1H3,(H,27,32)(H2,26,28,30)