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

Systemtic Name: N-[4-(phenylmethyl)piperazin-1-yl]carbothioyladamantane-1-carboxamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)adamantane-1-carboxamide CAS Name: N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)adamantane-1-carboxamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)adamantane-1-carboxamide Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31N3OS/c27-21(23-13-18-10-19(14-23)12-20(11-18)15-23)24-22(28)26-8-6-25(7-9-26)16-17-4-2-1-3-5-17/h1-5,18-20H,6-16H2,(H,24,27,28)