N-[1-[(2-ethoxyphenyl)carbamothioyl]piperidin-4-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[(2-ethoxyphenyl)carbamothioyl]piperidin-4-yl]adamantane-1-carboxamide Openeye Name: N-[1-[(2-ethoxyphenyl)carbamothioyl]-4-piperidyl]adamantane-1-carboxamide CAS Name: N-[1-[(2-ethoxyanilino)-sulfanylidenemethyl]-4-piperidinyl]-1-adamantanecarboxamide IUPAC Name: N-[1-[(2-ethoxyphenyl)carbamothioyl]piperidin-4-yl]adamantane-1-carboxamide Traditional Name: N-[1-(o-phenetylthiocarbamoyl)-4-piperidyl]adamantane-1-carboxamide Formula: C25H35N3O2S MolecularWeight: 441.6293

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCC(CC2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCC(CC2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H35N3O2S/c1-2-30-22-6-4-3-5-21(22)27-24(31)28-9-7-20(8-10-28)26-23(29)25-14-17-11-18(15-25)13-19(12-17)16-25/h3-6,17-20H,2,7-16H2,1H3,(H,26,29)(H,27,31)