1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(2-dimethylaminoethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(2-dimethylaminoethyl)thiourea Openeye Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(2-dimethylaminoethyl)thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(2-dimethylaminoethyl)thiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(2-dimethylaminoethyl)thiourea Traditional Name: 1-(2-dimethylaminoethyl)-3-(piperonyloylamino)thiourea Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=S)NNC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CN(C)CCNC(=S)NNC(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H18N4O3S/c1-17(2)6-5-14-13(21)16-15-12(18)9-3-4-10-11(7-9)20-8-19-10/h3-4,7H,5-6,8H2,1-2H3,(H,15,18)(H2,14,16,21)