2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]thiazole-5-carbaldehyde CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-thiazolecarboxaldehyde IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde Traditional Name: 2-(4-piperonylpiperazino)thiazole-5-carbaldehyde Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=C(S4)C=O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=C(S4)C=O

InChI

InChI=1S/C16H17N3O3S/c20-10-13-8-17-16(23-13)19-5-3-18(4-6-19)9-12-1-2-14-15(7-12)22-11-21-14/h1-2,7-8,10H,3-6,9,11H2