N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-(3-ethanoylphenyl)-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-(3-ethanoylphenyl)-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-(3-acetylphenyl)-N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]thiadiazole-4-carboxamide CAS Name: N-(3-acetylphenyl)-N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-thiadiazolecarboxamide IUPAC Name: N-(3-acetylphenyl)-N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thiadiazole-4-carboxamide Traditional Name: N-(3-acetylphenyl)-N-[2-keto-2-(piperonylamino)ethyl]thiadiazole-4-carboxamide Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CSN=N4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CSN=N4

InChI

InChI=1S/C21H18N4O5S/c1-13(26)15-3-2-4-16(8-15)25(21(28)17-11-31-24-23-17)10-20(27)22-9-14-5-6-18-19(7-14)30-12-29-18/h2-8,11H,9-10,12H2,1H3,(H,22,27)