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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3-fluoranyl-4-methoxy-phenyl)methylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3-fluoro-4-methoxy-phenyl)methyleneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(3-fluoro-4-methoxy-benzylidene)amino]-3-piperonyl-thiourea Formula: C17H16FN3O3S MolecularWeight: 361.390643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=S)NCC2=CC3=C(C=C2)OCO3)F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N\NC(=S)NCC2=CC3=C(C=C2)OCO3)F

InChI

InChI=1S/C17H16FN3O3S/c1-22-14-4-2-11(6-13(14)18)9-20-21-17(25)19-8-12-3-5-15-16(7-12)24-10-23-15/h2-7,9H,8,10H2,1H3,(H2,19,21,25)/b20-9-