4-[[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethyl-benzenecarbothioamide

Systemtic Name: 4-[[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethyl-benzenecarbothioamide Openeye Name: 4-[[(2S,5R)-4-allyl-2,5-dimethyl-piperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethyl-benzenecarbothioamide CAS Name: 4-[[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzenecarbothioamide IUPAC Name: 4-[[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzenecarbothioamide Traditional Name: 4-[[(2S,5R)-4-allyl-2,5-dimethyl-piperazino]-(3-methoxyphenyl)methyl]-N,N-diethyl-thiobenzamide Formula: C28H39N3OS MolecularWeight: 465.69376

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OC)N3CC(N(CC3C)CC=C)C

Isomeric SMILES

CCN(CC)C(=S)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OC)N3C[C@H](N(C[C@@H]3C)CC=C)C

InChI

InChI=1S/C28H39N3OS/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)32-6)23-13-15-24(16-14-23)28(33)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27?/m1/s1