N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2R)-oxolan-2-yl]carbonyl-piperazine-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2R)-oxolan-2-yl]carbonyl-piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2R)-tetrahydrofuran-2-carbonyl]piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[oxo-[(2R)-2-oxolanyl]methyl]-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbothioamide Traditional Name: N-homoveratryl-4-[(2R)-tetrahydrofuran-2-carbonyl]piperazine-1-carbothioamide Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)C(=O)C3CCCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)C(=O)[C@H]3CCCO3)OC

InChI

InChI=1S/C20H29N3O4S/c1-25-16-6-5-15(14-18(16)26-2)7-8-21-20(28)23-11-9-22(10-12-23)19(24)17-4-3-13-27-17/h5-6,14,17H,3-4,7-13H2,1-2H3,(H,21,28)/t17-/m1/s1