N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbothioyladamantane-1-carboxamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbothioyladamantane-1-carboxamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]adamantane-1-carboxamide CAS Name: N-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]adamantane-1-carboxamide Traditional Name: N-(4-piperonylpiperazine-1-carbothioyl)adamantane-1-carboxamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H31N3O3S/c28-22(24-11-17-7-18(12-24)9-19(8-17)13-24)25-23(31)27-5-3-26(4-6-27)14-16-1-2-20-21(10-16)30-15-29-20/h1-2,10,17-19H,3-9,11-15H2,(H,25,28,31)