N-(1,3-benzodioxol-5-yl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-phenyl-2-pyrrolidin-1-yl-thiazole-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-phenyl-2-(1-pyrrolidinyl)-5-thiazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-phenyl-2-pyrrolidino-thiazole-5-carboxamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=C(S2)C(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NC(=C(S2)C(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C21H19N3O3S/c25-20(22-15-8-9-16-17(12-15)27-13-26-16)19-18(14-6-2-1-3-7-14)23-21(28-19)24-10-4-5-11-24/h1-3,6-9,12H,4-5,10-11,13H2,(H,22,25)