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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(2-furylmethyl)piperazine-1-carbothioamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-N-(2-furanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)-N-(2-furfuryl)piperazine-1-carbothioamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NCC4=CC=CO4

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NCC4=CC=CO4

InChI

InChI=1S/C19H21N3O4S/c23-18(17-13-25-15-5-1-2-6-16(15)26-17)21-7-9-22(10-8-21)19(27)20-12-14-4-3-11-24-14/h1-6,11,17H,7-10,12-13H2,(H,20,27)