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

Systemtic Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylphenyl)pyrrolidine-1-carbothioamide Openeye Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(o-tolyl)pyrrolidine-1-carbothioamide CAS Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylphenyl)-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylphenyl)pyrrolidine-1-carbothioamide Traditional Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(o-tolyl)pyrrolidine-1-carbothioamide Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCCC2C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCC[C@@H]2C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H22N2O2S/c1-14-5-2-3-6-16(14)21-20(25)22-10-4-7-17(22)15-8-9-18-19(13-15)24-12-11-23-18/h2-3,5-6,8-9,13,17H,4,7,10-12H2,1H3,(H,21,25)/t17-/m1/s1