N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(furan-2-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(furan-2-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-furanyl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carbothioamide Traditional Name: 4-(2-furoyl)-N-homoveratryl-piperazine-1-carbothioamide Formula: C20H25N3O4S MolecularWeight: 403.4952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)C(=O)C3=CC=CO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)C(=O)C3=CC=CO3)OC

InChI

InChI=1S/C20H25N3O4S/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/h3-6,13-14H,7-12H2,1-2H3,(H,21,28)