3-(1,3-benzodioxol-5-ylmethyl)-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-methyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-methyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(2-chloro-6-fluoro-phenyl)methyl]-1-methyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methyl]-1-methylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methyl]-1-methylthiourea Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-1-methyl-3-piperonyl-thiourea Formula: C17H16ClFN2O2S MolecularWeight: 366.837543

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H16ClFN2O2S/c1-21(9-12-13(18)3-2-4-14(12)19)17(24)20-8-11-5-6-15-16(7-11)23-10-22-15/h2-7H,8-10H2,1H3,(H,20,24)