1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-fluorophenyl)carbamothioylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-fluorophenyl)carbamothioylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-fluorophenyl)carbamothioylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2-fluoroanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-fluorophenyl)carbamothioylamino]thiourea Traditional Name: 1-(2-fluorophenyl)-3-(piperonylthiocarbamoylamino)thiourea Formula: C16H15FN4O2S2 MolecularWeight: 378.444303

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=S)NC3=CC=CC=C3F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C16H15FN4O2S2/c17-11-3-1-2-4-12(11)19-16(25)21-20-15(24)18-8-10-5-6-13-14(7-10)23-9-22-13/h1-7H,8-9H2,(H2,18,20,24)(H2,19,21,25)