N-(2-methylpropyl)-4-(3-nitropyridin-2-yl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2-methylpropyl)-4-(3-nitropyridin-2-yl)-1,4-diazepane-1-carbothioamide Openeye Name: N-isobutyl-4-(3-nitro-2-pyridyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2-methylpropyl)-4-(3-nitropyridin-2-yl)-1,4-diazepane-1-carbothioamide Traditional Name: N-isobutyl-4-(3-nitro-2-pyridyl)-1,4-diazepane-1-carbothioamide Formula: C15H23N5O2S MolecularWeight: 337.44042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)N1CCCN(CC1)C2=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=S)N1CCCN(CC1)C2=C(C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C15H23N5O2S/c1-12(2)11-17-15(23)19-8-4-7-18(9-10-19)14-13(20(21)22)5-3-6-16-14/h3,5-6,12H,4,7-11H2,1-2H3,(H,17,23)