(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3-fluoranyl-4-methyl-phenyl)pyrrolidine-1-carbothioamide

Systemtic Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3-fluoranyl-4-methyl-phenyl)pyrrolidine-1-carbothioamide Openeye Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3-fluoro-4-methyl-phenyl)pyrrolidine-1-carbothioamide CAS Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3-fluoro-4-methylphenyl)-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3-fluoro-4-methylphenyl)pyrrolidine-1-carbothioamide Traditional Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3-fluoro-4-methyl-phenyl)pyrrolidine-1-carbothioamide Formula: C21H23FN2O2S MolecularWeight: 386.482923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCCC2C3=CC4=C(C=C3)OCCCO4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCC[C@@H]2C3=CC4=C(C=C3)OCCCO4)F

InChI

InChI=1S/C21H23FN2O2S/c1-14-5-7-16(13-17(14)22)23-21(27)24-9-2-4-18(24)15-6-8-19-20(12-15)26-11-3-10-25-19/h5-8,12-13,18H,2-4,9-11H2,1H3,(H,23,27)/t18-/m1/s1