N-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(coumaran-5-ylmethyl)-N-piperonyl-piperazine-1-carbothioamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=S)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=S)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H25N3O3S/c29-22(23-13-16-1-4-20-21(12-16)28-15-27-20)25-8-6-24(7-9-25)14-17-2-3-19-18(11-17)5-10-26-19/h1-4,11-12H,5-10,13-15H2,(H,23,29)