2-ethyl-4-(4-methylpiperazin-1-yl)-7-nitro-10H-thieno[3,2-b][1,5]benzodiazepine

Systemtic Name: 2-ethyl-4-(4-methylpiperazin-1-yl)-7-nitro-10H-thieno[3,2-b][1,5]benzodiazepine Openeye Name: 2-ethyl-4-(4-methylpiperazin-1-yl)-7-nitro-10H-thieno[3,2-b][1,5]benzodiazepine CAS Name: 2-ethyl-4-(4-methyl-1-piperazinyl)-7-nitro-10H-thieno[3,2-b][1,5]benzodiazepine IUPAC Name: 2-ethyl-4-(4-methylpiperazin-1-yl)-7-nitro-10H-thieno[3,2-b][1,5]benzodiazepine Traditional Name: 2-ethyl-4-(4-methylpiperazino)-7-nitro-10H-thieno[3,2-b][1,5]benzodiazepine Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)C(=NC3=C(N2)C=CC(=C3)[N+](=O)[O-])N4CCN(CC4)C

Isomeric SMILES

CCC1=CC2=C(S1)C(=NC3=C(N2)C=CC(=C3)[N+](=O)[O-])N4CCN(CC4)C

InChI

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