1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(dimethylamino)propanoylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(dimethylamino)propanoylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(dimethylamino)propanoylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[3-(dimethylamino)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(dimethylamino)propanoylamino]thiourea Traditional Name: 1-[3-(dimethylamino)propanoylamino]-3-piperonyl-thiourea Formula: C14H20N4O3S MolecularWeight: 324.3986

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(=O)NNC(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CN(C)CCC(=O)NNC(=S)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H20N4O3S/c1-18(2)6-5-13(19)16-17-14(22)15-8-10-3-4-11-12(7-10)21-9-20-11/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,19)(H2,15,17,22)