N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carbothioamide Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NCCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NCCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3O3S/c23-17-7-5-16(6-8-17)9-10-24-22(30)26-13-11-25(12-14-26)21(27)20-15-28-18-3-1-2-4-19(18)29-20/h1-8,20H,9-15H2,(H,24,30)