N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-(2-pyrrolidin-1-ylthiazol-4-yl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[2-(1-pyrrolidinyl)-4-thiazolyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(2-pyrrolidinothiazol-4-yl)phenyl]-piperonylamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=CS2)C3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C1)C2=NC(=CS2)C3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19N3O3S/c25-20(15-6-7-18-19(11-15)27-13-26-18)22-16-5-3-4-14(10-16)17-12-28-21(23-17)24-8-1-2-9-24/h3-7,10-12H,1-2,8-9,13H2,(H,22,25)