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

Systemtic Name: N-[3-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[2-(diethylamino)thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[2-(diethylamino)-4-thiazolyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[2-(diethylamino)thiazol-4-yl]phenyl]-piperonylamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC)C1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O3S/c1-3-24(4-2)21-23-17(12-28-21)14-6-5-7-16(10-14)22-20(25)15-8-9-18-19(11-15)27-13-26-18/h5-12H,3-4,13H2,1-2H3,(H,22,25)