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

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-thiophenecarboxamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide Traditional Name: N-(3-keto-2-methyl-4-piperonyl-5H-1,4-benzoxazepin-7-yl)thiophene-2-carboxamide Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CS3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CS3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H20N2O5S/c1-14-23(27)25(11-15-4-6-19-20(9-15)29-13-28-19)12-16-10-17(5-7-18(16)30-14)24-22(26)21-3-2-8-31-21/h2-10,14H,11-13H2,1H3,(H,24,26)