1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-fluoranylphenoxy)ethanoylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-fluoranylphenoxy)ethanoylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(3-fluorophenoxy)acetyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(3-fluorophenoxy)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(3-fluorophenoxy)acetyl]amino]thiourea Traditional Name: 1-[[2-(3-fluorophenoxy)acetyl]amino]-3-piperonyl-thiourea Formula: C17H16FN3O4S MolecularWeight: 377.390043

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)COC3=CC(=CC=C3)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)COC3=CC(=CC=C3)F

InChI

InChI=1S/C17H16FN3O4S/c18-12-2-1-3-13(7-12)23-9-16(22)20-21-17(26)19-8-11-4-5-14-15(6-11)25-10-24-14/h1-7H,8-10H2,(H,20,22)(H2,19,21,26)