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

Systemtic Name: 4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3-bromophenyl)piperazine-1-carbothioamide Openeye Name: N-(3-bromophenyl)-4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbothioamide CAS Name: N-(3-bromophenyl)-4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-bromophenyl)-4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbothioamide Traditional Name: N-(3-bromophenyl)-4-[(3S)-1,1-diketothiolan-3-yl]piperazine-1-carbothioamide Formula: C15H20BrN3O2S2 MolecularWeight: 418.3722

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2CCN(CC2)C(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N2CCN(CC2)C(=S)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C15H20BrN3O2S2/c16-12-2-1-3-13(10-12)17-15(22)19-7-5-18(6-8-19)14-4-9-23(20,21)11-14/h1-3,10,14H,4-9,11H2,(H,17,22)/t14-/m0/s1