1,3-benzodioxol-5-yl-(4-phenylpiperazin-1-yl)methanethione

Systemtic Name: 1,3-benzodioxol-5-yl-(4-phenylpiperazin-1-yl)methanethione Openeye Name: 1,3-benzodioxol-5-yl-(4-phenylpiperazin-1-yl)methanethione CAS Name: 1,3-benzodioxol-5-yl-(4-phenyl-1-piperazinyl)methanethione IUPAC Name: 1,3-benzodioxol-5-yl-(4-phenylpiperazin-1-yl)methanethione Traditional Name: 1,3-benzodioxol-5-yl-(4-phenylpiperazino)methanethione Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=S)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=S)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H18N2O2S/c23-18(14-6-7-16-17(12-14)22-13-21-16)20-10-8-19(9-11-20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2