[1-(3,4,5-trimethoxyphenyl)carbothioylpiperazin-2-yl]methyl N,N-diethylcarbamate

Systemtic Name: [1-(3,4,5-trimethoxyphenyl)carbothioylpiperazin-2-yl]methyl N,N-diethylcarbamate Openeye Name: [1-(3,4,5-trimethoxybenzenecarbothioyl)piperazin-2-yl]methyl N,N-diethylcarbamate CAS Name: N,N-diethylcarbamic acid [1-[sulfanylidene-(3,4,5-trimethoxyphenyl)methyl]-2-piperazinyl]methyl ester IUPAC Name: [1-(3,4,5-trimethoxybenzenecarbothioyl)piperazin-2-yl]methyl N,N-diethylcarbamate Traditional Name: N,N-diethylcarbamic acid [1-(3,4,5-trimethoxythiobenzoyl)piperazin-2-yl]methyl ester Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)OCC1CNCCN1C(=S)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCN(CC)C(=O)OCC1CNCCN1C(=S)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C20H31N3O5S/c1-6-22(7-2)20(24)28-13-15-12-21-8-9-23(15)19(29)14-10-16(25-3)18(27-5)17(11-14)26-4/h10-11,15,21H,6-9,12-13H2,1-5H3