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

Systemtic Name: 4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3-chloranyl-4-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-methylphenyl)-4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-[(3S)-1,1-diketothiolan-3-yl]piperazine-1-carbothioamide Formula: C16H22ClN3O2S2 MolecularWeight: 387.94778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O2S2/c1-12-2-3-13(10-15(12)17)18-16(23)20-7-5-19(6-8-20)14-4-9-24(21,22)11-14/h2-3,10,14H,4-9,11H2,1H3,(H,18,23)/t14-/m0/s1