[4-(1,3-benzodioxol-5-ylcarbothioyl)piperazin-1-yl]-(4-methoxyphenyl)methanethione

Systemtic Name: [4-(1,3-benzodioxol-5-ylcarbothioyl)piperazin-1-yl]-(4-methoxyphenyl)methanethione Openeye Name: [4-(1,3-benzodioxole-5-carbothioyl)piperazin-1-yl]-(4-methoxyphenyl)methanethione CAS Name: [4-[1,3-benzodioxol-5-yl(sulfanylidene)methyl]-1-piperazinyl]-(4-methoxyphenyl)methanethione IUPAC Name: [4-(1,3-benzodioxole-5-carbothioyl)piperazin-1-yl]-(4-methoxyphenyl)methanethione Traditional Name: [4-(1,3-benzodioxole-5-carbothioyl)piperazino]-(4-methoxyphenyl)methanethione Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=S)N2CCN(CC2)C(=S)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C(=S)N2CCN(CC2)C(=S)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N2O3S2/c1-23-16-5-2-14(3-6-16)19(26)21-8-10-22(11-9-21)20(27)15-4-7-17-18(12-15)25-13-24-17/h2-7,12H,8-11,13H2,1H3