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

Systemtic Name: N-[4-(2-hydroxyphenyl)piperazin-1-yl]carbothioyladamantane-1-carboxamide Openeye Name: N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]adamantane-1-carboxamide CAS Name: N-[[4-(2-hydroxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]adamantane-1-carboxamide Traditional Name: N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]adamantane-1-carboxamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2O)C(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2O)C(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N3O2S/c26-19-4-2-1-3-18(19)24-5-7-25(8-6-24)21(28)23-20(27)22-12-15-9-16(13-22)11-17(10-15)14-22/h1-4,15-17,26H,5-14H2,(H,23,27,28)