4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-N-(furan-2-ylmethyl)piperidine-1-carbothioamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-N-(furan-2-ylmethyl)piperidine-1-carbothioamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-(2-furylmethyl)piperidine-1-carbothioamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-N-(2-furanylmethyl)-1-piperidinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-(furan-2-ylmethyl)piperidine-1-carbothioamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)-N-(2-furfuryl)piperidine-1-carbothioamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)C(=S)NCC4=CC=CO4

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)C(=S)NCC4=CC=CO4

InChI

InChI=1S/C20H22N2O4S/c23-19(15-3-4-17-18(12-15)26-11-10-25-17)14-5-7-22(8-6-14)20(27)21-13-16-2-1-9-24-16/h1-4,9,12,14H,5-8,10-11,13H2,(H,21,27)