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

Systemtic Name: 1-chloranyl-N-(4-methylpiperazin-1-yl)-4-oxidanylidene-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxamide Openeye Name: 1-chloro-N-(4-methylpiperazin-1-yl)-4-oxo-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxamide CAS Name: 1-chloro-N-(4-methyl-1-piperazinyl)-4-oxo-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxamide IUPAC Name: 1-chloro-N-(4-methylpiperazin-1-yl)-4-oxo-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxamide Traditional Name: 1-chloro-4-keto-N-(4-methylpiperazino)-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxamide Formula: C17H18ClN5O2S MolecularWeight: 391.87512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN5O2S/c1-21-6-8-22(9-7-21)20-17(25)23-13-5-3-2-4-12(13)19-16(24)11-10-26-15(18)14(11)23/h2-5,10H,6-9H2,1H3,(H,19,24)(H,20,25)