N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-thiophenecarboxamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide Traditional Name: N-(3-keto-4-piperonyl-5H-1,4-benzoxazepin-7-yl)thiophene-2-carboxamide Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)NC(=O)C3=CC=CS3)OCC(=O)N1CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2=C(C=CC(=C2)NC(=O)C3=CC=CS3)OCC(=O)N1CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H18N2O5S/c25-21-12-27-17-6-4-16(23-22(26)20-2-1-7-30-20)9-15(17)11-24(21)10-14-3-5-18-19(8-14)29-13-28-18/h1-9H,10-13H2,(H,23,26)