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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NCC2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@@H](N(C1)C(=S)NCC2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H22N2O2S/c25-20(21-14-15-5-2-1-3-6-15)22-10-4-7-17(22)16-8-9-18-19(13-16)24-12-11-23-18/h1-3,5-6,8-9,13,17H,4,7,10-12,14H2,(H,21,25)/t17-/m1/s1