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

Systemtic Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenethyl-pyrrolidine-1-carbothioamide Openeye Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenethyl-pyrrolidine-1-carbothioamide CAS Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenethyl-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenethylpyrrolidine-1-carbothioamide Traditional Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenethyl-pyrrolidine-1-carbothioamide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NCCC2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@@H](N(C1)C(=S)NCCC2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24N2O2S/c26-21(22-11-10-16-5-2-1-3-6-16)23-12-4-7-18(23)17-8-9-19-20(15-17)25-14-13-24-19/h1-3,5-6,8-9,15,18H,4,7,10-14H2,(H,22,26)/t18-/m1/s1