1-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-3-phenyl-thiourea

Systemtic Name: 1-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-3-phenyl-thiourea Openeye Name: 1-[(1,1-dioxothiolan-3-yl)methyl]-3-phenyl-thiourea CAS Name: 1-[(1,1-dioxo-3-thiolanyl)methyl]-3-phenylthiourea IUPAC Name: 1-[(1,1-dioxothiolan-3-yl)methyl]-3-phenylthiourea Traditional Name: 1-[(1,1-diketothiolan-3-yl)methyl]-3-phenyl-thiourea Formula: C12H16N2O2S2 MolecularWeight: 284.39764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1CNC(=S)NC2=CC=CC=C2

Isomeric SMILES

C1CS(=O)(=O)CC1CNC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C12H16N2O2S2/c15-18(16)7-6-10(9-18)8-13-12(17)14-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,13,14,17)