1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-fluoranyl-4-methyl-phenyl)thiourea

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-fluoranyl-4-methyl-phenyl)thiourea Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-fluoro-4-methyl-phenyl)thiourea CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-fluoro-4-methylphenyl)thiourea IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-fluoro-4-methylphenyl)thiourea Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-fluoro-4-methyl-phenyl)thiourea Formula: C17H17FN2O2S MolecularWeight: 332.392483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=CC3=C(C=C2)OCCCO3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=CC3=C(C=C2)OCCCO3)F

InChI

InChI=1S/C17H17FN2O2S/c1-11-3-4-12(9-14(11)18)19-17(23)20-13-5-6-15-16(10-13)22-8-2-7-21-15/h3-6,9-10H,2,7-8H2,1H3,(H2,19,20,23)