1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(3-fluoranyl-4-methoxy-phenyl)ethylideneamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(3-fluoranyl-4-methoxy-phenyl)ethylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(3-fluoro-4-methoxy-phenyl)ethylideneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(3-fluoro-4-methoxyphenyl)ethylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(3-fluoro-4-methoxyphenyl)ethylideneamino]thiourea Traditional Name: 1-[(Z)-1-(3-fluoro-4-methoxy-phenyl)ethylideneamino]-3-piperonyl-thiourea Formula: C18H18FN3O3S MolecularWeight: 375.417223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN3O3S/c1-11(13-4-6-15(23-2)14(19)8-13)21-22-18(26)20-9-12-3-5-16-17(7-12)25-10-24-16/h3-8H,9-10H2,1-2H3,(H2,20,22,26)/b21-11-