(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carbothioamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carbothioamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carbothioamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carbothioamide Traditional Name: (2R)-N-piperonyl-2-p-phenetyl-pyrrolidine-1-carbothioamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCCN2C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O3S/c1-2-24-17-8-6-16(7-9-17)18-4-3-11-23(18)21(27)22-13-15-5-10-19-20(12-15)26-14-25-19/h5-10,12,18H,2-4,11,13-14H2,1H3,(H,22,27)/t18-/m1/s1