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

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-methyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-thiourea CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-3-methyl-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiourea Traditional Name: 1-benzyl-1-[(3S)-1,1-diketothiolan-3-yl]-3-methyl-thiourea Formula: C13H18N2O2S2 MolecularWeight: 298.42422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N(CC1=CC=CC=C1)C2CCS(=O)(=O)C2

Isomeric SMILES

CNC(=S)N(CC1=CC=CC=C1)[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C13H18N2O2S2/c1-14-13(18)15(9-11-5-3-2-4-6-11)12-7-8-19(16,17)10-12/h2-6,12H,7-10H2,1H3,(H,14,18)/t12-/m0/s1