N-(1,3-benzodioxol-5-ylmethyl)-4-(oxolan-2-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(oxolan-2-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[oxo(2-oxolanyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide Traditional Name: N-piperonyl-4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamide Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H23N3O4S/c22-17(15-2-1-9-23-15)20-5-7-21(8-6-20)18(26)19-11-13-3-4-14-16(10-13)25-12-24-14/h3-4,10,15H,1-2,5-9,11-12H2,(H,19,26)