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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=S)NCC2=CC=CC=C2

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C(=S)NCC2=CC=CC=C2

InChI

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