4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-[(3S)-1,1-dioxo-3-thiolanyl]-N-[(4-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-[(3S)-1,1-diketothiolan-3-yl]-N-p-anisyl-piperazine-1-carbothioamide Formula: C17H25N3O3S2 MolecularWeight: 383.5287

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)C3CCS(=O)(=O)C3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C17H25N3O3S2/c1-23-16-4-2-14(3-5-16)12-18-17(24)20-9-7-19(8-10-20)15-6-11-25(21,22)13-15/h2-5,15H,6-13H2,1H3,(H,18,24)/t15-/m0/s1