N-[4-(2-ethoxyphenyl)piperazin-1-yl]carbothioyladamantane-1-carboxamide

Systemtic Name: N-[4-(2-ethoxyphenyl)piperazin-1-yl]carbothioyladamantane-1-carboxamide Openeye Name: N-[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]adamantane-1-carboxamide CAS Name: N-[[4-(2-ethoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]adamantane-1-carboxamide Traditional Name: N-(4-o-phenetylpiperazine-1-carbothioyl)adamantane-1-carboxamide Formula: C24H33N3O2S MolecularWeight: 427.60272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H33N3O2S/c1-2-29-21-6-4-3-5-20(21)26-7-9-27(10-8-26)23(30)25-22(28)24-14-17-11-18(15-24)13-19(12-17)16-24/h3-6,17-19H,2,7-16H2,1H3,(H,25,28,30)