(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbothioamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbothioamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbothioamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbothioamide Traditional Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-piperonyl-pyrrolidine-1-carbothioamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NCC2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[C@@H](N(C1)C(=S)NCC2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H22N2O4S/c28-21(22-12-14-3-5-18-19(10-14)27-13-26-18)23-7-1-2-16(23)15-4-6-17-20(11-15)25-9-8-24-17/h3-6,10-11,16H,1-2,7-9,12-13H2,(H,22,28)/t16-/m1/s1