1-(1,3-benzodioxol-5-ylmethyl)-3-(prop-2-enylcarbamothioylamino)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(prop-2-enylcarbamothioylamino)thiourea Openeye Name: 1-allyl-3-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(prop-2-enylcarbamothioylamino)thiourea Traditional Name: 1-allyl-3-(piperonylthiocarbamoylamino)thiourea Formula: C13H16N4O2S2 MolecularWeight: 324.42174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O2S2/c1-2-5-14-12(20)16-17-13(21)15-7-9-3-4-10-11(6-9)19-8-18-10/h2-4,6H,1,5,7-8H2,(H2,14,16,20)(H2,15,17,21)