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

Systemtic Name: [4-(1,3-benzodioxol-5-ylcarbothioyl)piperazin-1-yl]-(4-dimethylaminophenyl)methanethione Openeye Name: [4-(1,3-benzodioxole-5-carbothioyl)piperazin-1-yl]-(4-dimethylaminophenyl)methanethione CAS Name: [4-[1,3-benzodioxol-5-yl(sulfanylidene)methyl]-1-piperazinyl]-(4-dimethylaminophenyl)methanethione IUPAC Name: [4-(1,3-benzodioxole-5-carbothioyl)piperazin-1-yl]-(4-dimethylaminophenyl)methanethione Traditional Name: [4-(1,3-benzodioxole-5-carbothioyl)piperazino]-(4-dimethylaminophenyl)methanethione Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S2/c1-22(2)17-6-3-15(4-7-17)20(27)23-9-11-24(12-10-23)21(28)16-5-8-18-19(13-16)26-14-25-18/h3-8,13H,9-12,14H2,1-2H3