N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-bis(oxidanyl)piperidine-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-bis(oxidanyl)piperidine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dihydroxy-piperidine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dihydroxy-1-piperidinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dihydroxypiperidine-1-carbothioamide Traditional Name: N-homoveratryl-4,4-dihydroxy-piperidine-1-carbothioamide Formula: C16H24N2O4S MolecularWeight: 340.43776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCC(CC2)(O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCC(CC2)(O)O)OC

InChI

InChI=1S/C16H24N2O4S/c1-21-13-4-3-12(11-14(13)22-2)5-8-17-15(23)18-9-6-16(19,20)7-10-18/h3-4,11,19-20H,5-10H2,1-2H3,(H,17,23)