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

Systemtic Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carbothioamide Openeye Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carbothioamide CAS Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carbothioamide Traditional Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carbothioamide Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-23-16-7-5-15(6-8-16)21-20(26)22-10-2-3-17(22)14-4-9-18-19(13-14)25-12-11-24-18/h4-9,13,17H,2-3,10-12H2,1H3,(H,21,26)/t17-/m1/s1