4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbothioamide Traditional Name: 4-[(3S)-1,1-diketothiolan-3-yl]-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C17H25N3O2S2 MolecularWeight: 367.5293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C17H25N3O2S2/c1-13-3-4-14(2)16(11-13)18-17(23)20-8-6-19(7-9-20)15-5-10-24(21,22)12-15/h3-4,11,15H,5-10,12H2,1-2H3,(H,18,23)/t15-/m0/s1