N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-furylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-furanylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-furfuryl)piperazin-4-ium-1-carbothioamide Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C(=S)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C(=S)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H21N3O3S/c25-18(19-14-3-4-16-17(12-14)24-11-10-23-16)21-7-5-20(6-8-21)13-15-2-1-9-22-15/h1-4,9,12H,5-8,10-11,13H2,(H,19,25)/p+1