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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-1-phenyl-ethyl]-N-prop-2-enyl-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-allyl-N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-1-phenyl-ethyl]thiadiazole-4-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-1-phenylethyl]-N-prop-2-enyl-4-thiadiazolecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylthiadiazole-4-carboxamide Traditional Name: N-allyl-N-[2-keto-1-phenyl-2-(piperonylamino)ethyl]thiadiazole-4-carboxamide Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O4S/c1-2-10-26(22(28)17-13-31-25-24-17)20(16-6-4-3-5-7-16)21(27)23-12-15-8-9-18-19(11-15)30-14-29-18/h2-9,11,13,20H,1,10,12,14H2,(H,23,27)