N-(3,4-dimethoxyphenyl)-4-(oxolan-2-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-(oxolan-2-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-(3,4-dimethoxyphenyl)-4-[oxo(2-oxolanyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamide Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4S/c1-23-14-6-5-13(12-16(14)24-2)19-18(26)21-9-7-20(8-10-21)17(22)15-4-3-11-25-15/h5-6,12,15H,3-4,7-11H2,1-2H3,(H,19,26)