N-(4-phenylpiperazin-1-yl)carbothioyladamantane-1-carboxamide

Systemtic Name: N-(4-phenylpiperazin-1-yl)carbothioyladamantane-1-carboxamide Openeye Name: N-(4-phenylpiperazine-1-carbothioyl)adamantane-1-carboxamide CAS Name: N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-(4-phenylpiperazine-1-carbothioyl)adamantane-1-carboxamide Traditional Name: N-(4-phenylpiperazine-1-carbothioyl)adamantane-1-carboxamide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N3OS/c26-20(22-13-16-10-17(14-22)12-18(11-16)15-22)23-21(27)25-8-6-24(7-9-25)19-4-2-1-3-5-19/h1-5,16-18H,6-15H2,(H,23,26,27)