3-(1,3-benzodioxol-5-yl)-1-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[4-[(5-phenyl-2-thienyl)methyl]piperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[4-[(5-phenyl-2-thiophenyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[4-[(5-phenyl-2-thienyl)methyl]piperazino]propan-1-one Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)C3=CC=CC=C3)C(=O)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)C3=CC=CC=C3)C(=O)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H26N2O3S/c28-25(11-7-19-6-9-22-23(16-19)30-18-29-22)27-14-12-26(13-15-27)17-21-8-10-24(31-21)20-4-2-1-3-5-20/h1-6,8-10,16H,7,11-15,17-18H2