1-[4-[2-(3,5-dimethoxyphenyl)ethanoyl]piperazin-1-yl]-6-sulfanylidene-heptan-1-one

Systemtic Name: 1-[4-[2-(3,5-dimethoxyphenyl)ethanoyl]piperazin-1-yl]-6-sulfanylidene-heptan-1-one Openeye Name: 1-[4-[2-(3,5-dimethoxyphenyl)acetyl]piperazin-1-yl]-6-thioxo-heptan-1-one CAS Name: 1-[4-[2-(3,5-dimethoxyphenyl)-1-oxoethyl]-1-piperazinyl]-6-sulfanylidene-1-heptanone IUPAC Name: 1-[4-[2-(3,5-dimethoxyphenyl)acetyl]piperazin-1-yl]-6-sulfanylideneheptan-1-one Traditional Name: 1-[4-[2-(3,5-dimethoxyphenyl)acetyl]piperazino]-6-thioxo-heptan-1-one Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)CCCCC(=O)N1CCN(CC1)C(=O)CC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CC(=S)CCCCC(=O)N1CCN(CC1)C(=O)CC2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C21H30N2O4S/c1-16(28)6-4-5-7-20(24)22-8-10-23(11-9-22)21(25)14-17-12-18(26-2)15-19(13-17)27-3/h12-13,15H,4-11,14H2,1-3H3