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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(butylcarbamothioylamino)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(butylcarbamothioylamino)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[butylamino(sulfanylidene)methyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(butylcarbamothioylamino)thiourea Traditional Name: 1-butyl-3-(piperonylthiocarbamoylamino)thiourea Formula: C14H20N4O2S2 MolecularWeight: 340.4642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O2S2/c1-2-3-6-15-13(21)17-18-14(22)16-8-10-4-5-11-12(7-10)20-9-19-11/h4-5,7H,2-3,6,8-9H2,1H3,(H2,15,17,21)(H2,16,18,22)