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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-ethyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(3S)-1,1-dioxo-3-thiolanyl]-1-ethylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-ethylthiourea Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-1-ethyl-3-piperonyl-thiourea Formula: C15H20N2O4S2 MolecularWeight: 356.4603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4S2/c1-2-17(12-5-6-23(18,19)9-12)15(22)16-8-11-3-4-13-14(7-11)21-10-20-13/h3-4,7,12H,2,5-6,8-10H2,1H3,(H,16,22)/t12-/m0/s1