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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-propyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-propyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(3S)-1,1-dioxo-3-thiolanyl]-1-propylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-propylthiourea Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-3-piperonyl-1-propyl-thiourea Formula: C16H22N2O4S2 MolecularWeight: 370.48688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4S2/c1-2-6-18(13-5-7-24(19,20)10-13)16(23)17-9-12-3-4-14-15(8-12)22-11-21-14/h3-4,8,13H,2,5-7,9-11H2,1H3,(H,17,23)/t13-/m0/s1