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

Systemtic Name: N-[4-(4-methoxyphenyl)piperazin-1-yl]carbothioyladamantane-1-carboxamide Openeye Name: N-[4-(4-methoxyphenyl)piperazine-1-carbothioyl]adamantane-1-carboxamide CAS Name: N-[[4-(4-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(4-methoxyphenyl)piperazine-1-carbothioyl]adamantane-1-carboxamide Traditional Name: N-[4-(4-methoxyphenyl)piperazine-1-carbothioyl]adamantane-1-carboxamide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31N3O2S/c1-28-20-4-2-19(3-5-20)25-6-8-26(9-7-25)22(29)24-21(27)23-13-16-10-17(14-23)12-18(11-16)15-23/h2-5,16-18H,6-15H2,1H3,(H,24,27,29)