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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCC[C@@H]2C3=CC4=C(C=C3)OCCCO4

InChI

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