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

Systemtic Name: (4-methylpiperazin-1-yl) 1-methyl-4-oxidanylidene-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylate Openeye Name: (4-methylpiperazin-1-yl) 1-methyl-4-oxo-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylate CAS Name: 1-methyl-4-oxo-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylic acid (4-methyl-1-piperazinyl) ester IUPAC Name: (4-methylpiperazin-1-yl) 1-methyl-4-oxo-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylate Traditional Name: 4-keto-1-methyl-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylic acid (4-methylpiperazino) ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(=O)ON4CCN(CC4)C

Isomeric SMILES

CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(=O)ON4CCN(CC4)C

InChI

InChI=1S/C18H20N4O3S/c1-12-16-13(11-26-12)17(23)19-14-5-3-4-6-15(14)22(16)18(24)25-21-9-7-20(2)8-10-21/h3-6,11H,7-10H2,1-2H3,(H,19,23)