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

Systemtic Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methylphenyl)pyrrolidine-1-carbothioamide Openeye Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(o-tolyl)pyrrolidine-1-carbothioamide CAS Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methylphenyl)-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methylphenyl)pyrrolidine-1-carbothioamide Traditional Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(o-tolyl)pyrrolidine-1-carbothioamide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCC[C@@H]2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H24N2O2S/c1-15-6-2-3-7-17(15)22-21(26)23-11-4-8-18(23)16-9-10-19-20(14-16)25-13-5-12-24-19/h2-3,6-7,9-10,14,18H,4-5,8,11-13H2,1H3,(H,22,26)/t18-/m1/s1