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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiourea Traditional Name: 1-[(Z)-1-(2-fluorophenyl)ethylideneamino]-3-piperonyl-thiourea Formula: C17H16FN3O2S MolecularWeight: 345.391243

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3F

Isomeric SMILES

C/C(=N/NC(=S)NCC1=CC2=C(C=C1)OCO2)/C3=CC=CC=C3F

InChI

InChI=1S/C17H16FN3O2S/c1-11(13-4-2-3-5-14(13)18)20-21-17(24)19-9-12-6-7-15-16(8-12)23-10-22-15/h2-8H,9-10H2,1H3,(H2,19,21,24)/b20-11-