3-(1,3-benzodioxol-5-ylmethyl)-1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-methyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-methyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(3S)-1,1-dioxo-3-thiolanyl]-1-methylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-methylthiourea Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-1-methyl-3-piperonyl-thiourea Formula: C14H18N2O4S2 MolecularWeight: 342.43372

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H18N2O4S2/c1-16(11-4-5-22(17,18)8-11)14(21)15-7-10-2-3-12-13(6-10)20-9-19-12/h2-3,6,11H,4-5,7-9H2,1H3,(H,15,21)/t11-/m0/s1