2-ethyl-4-(4-methylpiperazin-1-yl)-7-nitro-5H-thieno[3,2-c][1,5]benzodiazepine

Systemtic Name: 2-ethyl-4-(4-methylpiperazin-1-yl)-7-nitro-5H-thieno[3,2-c][1,5]benzodiazepine Openeye Name: 2-ethyl-4-(4-methylpiperazin-1-yl)-7-nitro-5H-thieno[3,2-c][1,5]benzodiazepine CAS Name: 2-ethyl-4-(4-methyl-1-piperazinyl)-7-nitro-5H-thieno[3,2-c][1,5]benzodiazepine IUPAC Name: 2-ethyl-4-(4-methylpiperazin-1-yl)-7-nitro-5H-thieno[3,2-c][1,5]benzodiazepine Traditional Name: 2-ethyl-4-(4-methylpiperazino)-7-nitro-5H-thieno[3,2-c][1,5]benzodiazepine Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NC3=C(C=CC(=C3)[N+](=O)[O-])N=C2S1)N4CCN(CC4)C

Isomeric SMILES

CCC1=CC2=C(NC3=C(C=CC(=C3)[N+](=O)[O-])N=C2S1)N4CCN(CC4)C

InChI

InChI=1S/C18H21N5O2S/c1-3-13-11-14-17(22-8-6-21(2)7-9-22)19-16-10-12(23(24)25)4-5-15(16)20-18(14)26-13/h4-5,10-11,19H,3,6-9H2,1-2H3