4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide

Systemtic Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide Openeye Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide CAS Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-[(2S)-2-ethylhexyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide Traditional Name: 4-(4,5-dimethoxy-2-methyl-benzyl)-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide Formula: C23H39N3O2S MolecularWeight: 421.63966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)N1CCN(CC1)CC2=CC(=C(C=C2C)OC)OC

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)N1CCN(CC1)CC2=CC(=C(C=C2C)OC)OC

InChI

InChI=1S/C23H39N3O2S/c1-6-8-9-19(7-2)16-24-23(29)26-12-10-25(11-13-26)17-20-15-22(28-5)21(27-4)14-18(20)3/h14-15,19H,6-13,16-17H2,1-5H3,(H,24,29)/t19-/m0/s1