N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(oxolan-2-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(oxolan-2-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-[oxo(2-oxolanyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamide Formula: C18H24ClN3O4S MolecularWeight: 413.91886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)C(=O)C3CCCO3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)C(=O)C3CCCO3)OC)Cl

InChI

InChI=1S/C18H24ClN3O4S/c1-24-15-11-13(16(25-2)10-12(15)19)20-18(27)22-7-5-21(6-8-22)17(23)14-4-3-9-26-14/h10-11,14H,3-9H2,1-2H3,(H,20,27)