1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyethylcarbamothioylamino)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyethylcarbamothioylamino)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyethylcarbamothioylamino)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2-methoxyethylamino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyethylcarbamothioylamino)thiourea Traditional Name: 1-(2-methoxyethyl)-3-(piperonylthiocarbamoylamino)thiourea Formula: C13H18N4O3S2 MolecularWeight: 342.43702

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)NNC(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

COCCNC(=S)NNC(=S)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H18N4O3S2/c1-18-5-4-14-12(21)16-17-13(22)15-7-9-2-3-10-11(6-9)20-8-19-10/h2-3,6H,4-5,7-8H2,1H3,(H2,14,16,21)(H2,15,17,22)