1-(1,3-benzodioxol-5-ylmethyl)-3-(pentylcarbamothioylamino)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(pentylcarbamothioylamino)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(pentylcarbamothioylamino)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(pentylamino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(pentylcarbamothioylamino)thiourea Traditional Name: 1-amyl-3-(piperonylthiocarbamoylamino)thiourea Formula: C15H22N4O2S2 MolecularWeight: 354.49078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O2S2/c1-2-3-4-7-16-14(22)18-19-15(23)17-9-11-5-6-12-13(8-11)21-10-20-12/h5-6,8H,2-4,7,9-10H2,1H3,(H2,16,18,22)(H2,17,19,23)