1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(1,3-benzothiazol-2-yl)butan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(1,3-benzothiazol-2-yl)butan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(1,3-benzothiazol-2-yl)butan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-(1,3-benzothiazol-2-yl)-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(1,3-benzothiazol-2-yl)butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-(4-piperonylpiperazino)butan-1-one Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H25N3O3S/c27-23(7-3-6-22-24-18-4-1-2-5-21(18)30-22)26-12-10-25(11-13-26)15-17-8-9-19-20(14-17)29-16-28-19/h1-2,4-5,8-9,14H,3,6-7,10-13,15-16H2