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

Systemtic Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-nitrophenyl)pyrrolidine-1-carbothioamide Openeye Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-nitrophenyl)pyrrolidine-1-carbothioamide CAS Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-nitrophenyl)-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-nitrophenyl)pyrrolidine-1-carbothioamide Traditional Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-nitrophenyl)pyrrolidine-1-carbothioamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@@H](N(C1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H19N3O4S/c23-22(24)15-6-4-14(5-7-15)20-19(27)21-9-1-2-16(21)13-3-8-17-18(12-13)26-11-10-25-17/h3-8,12,16H,1-2,9-11H2,(H,20,27)/t16-/m1/s1