(4-methylpiperazin-1-yl) 4-oxidanylidene-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylate

Systemtic Name: (4-methylpiperazin-1-yl) 4-oxidanylidene-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylate Openeye Name: (4-methylpiperazin-1-yl) 4-oxo-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylate CAS Name: 4-oxo-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylic acid (4-methyl-1-piperazinyl) ester IUPAC Name: (4-methylpiperazin-1-yl) 4-oxo-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylate Traditional Name: 4-keto-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylic acid (4-methylpiperazino) ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)OC(=O)N2C3=CC=CC=C3NC(=O)C4=CSC=C42

Isomeric SMILES

CN1CCN(CC1)OC(=O)N2C3=CC=CC=C3NC(=O)C4=CSC=C42

InChI

InChI=1S/C17H18N4O3S/c1-19-6-8-20(9-7-19)24-17(23)21-14-5-3-2-4-13(14)18-16(22)12-10-25-11-15(12)21/h2-5,10-11H,6-9H2,1H3,(H,18,22)