(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carbothioamide

Systemtic Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carbothioamide Openeye Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carbothioamide CAS Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carbothioamide Traditional Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-p-anisyl-pyrrolidine-1-carbothioamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CCCC2C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2CCC[C@@H]2C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24N2O3S/c1-24-17-7-4-15(5-8-17)14-22-21(27)23-10-2-3-18(23)16-6-9-19-20(13-16)26-12-11-25-19/h4-9,13,18H,2-3,10-12,14H2,1H3,(H,22,27)/t18-/m1/s1