1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-methyl-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-methyl-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-3-(4-nitrophenyl)thiourea CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-1-methyl-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-1-methyl-3-(4-nitrophenyl)thiourea Formula: C12H15N3O4S2 MolecularWeight: 329.3952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O4S2/c1-14(11-6-7-21(18,19)8-11)12(20)13-9-2-4-10(5-3-9)15(16)17/h2-5,11H,6-8H2,1H3,(H,13,20)/t11-/m0/s1