[4-[2-(1,3-benzodioxol-5-ylmethylamino)-4H-1,3,4-thiadiazin-5-ylidene]pyrrol-2-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[2-(1,3-benzodioxol-5-ylmethylamino)-4H-1,3,4-thiadiazin-5-ylidene]pyrrol-2-yl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[2-(1,3-benzodioxol-5-ylmethylamino)-4H-1,3,4-thiadiazin-5-ylidene]pyrrol-2-yl]-pyrrolidin-1-yl-methanone CAS Name: [4-[2-(1,3-benzodioxol-5-ylmethylamino)-4H-1,3,4-thiadiazin-5-ylidene]-2-pyrrolyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[2-(1,3-benzodioxol-5-ylmethylamino)-4H-1,3,4-thiadiazin-5-ylidene]pyrrol-2-yl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[2-(piperonylamino)-4H-1,3,4-thiadiazin-5-ylidene]pyrrol-2-yl]-pyrrolidino-methanone Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=C3CSC(=NN3)NCC4=CC5=C(C=C4)OCO5)C=N2

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=C3CSC(=NN3)NCC4=CC5=C(C=C4)OCO5)C=N2

InChI

InChI=1S/C20H21N5O3S/c26-19(25-5-1-2-6-25)15-8-14(10-21-15)16-11-29-20(24-23-16)22-9-13-3-4-17-18(7-13)28-12-27-17/h3-4,7-8,10,23H,1-2,5-6,9,11-12H2,(H,22,24)