1-(1,3-benzodioxol-5-ylmethyl)-3-(propan-2-ylcarbamothioylamino)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(propan-2-ylcarbamothioylamino)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(isopropylcarbamothioylamino)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(propan-2-ylcarbamothioylamino)thiourea Traditional Name: 1-isopropyl-3-(piperonylthiocarbamoylamino)thiourea Formula: C13H18N4O2S2 MolecularWeight: 326.43762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NNC(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)NC(=S)NNC(=S)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H18N4O2S2/c1-8(2)15-13(21)17-16-12(20)14-6-9-3-4-10-11(5-9)19-7-18-10/h3-5,8H,6-7H2,1-2H3,(H2,14,16,20)(H2,15,17,21)