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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCCC2C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCC[C@@H]2C3=CC4=C(C=C3)OCCO4

InChI

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