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

Systemtic Name: 4-(3-nitropyridin-2-yl)-N-propan-2-yl-1,4-diazepane-1-carbothioamide Openeye Name: N-isopropyl-4-(3-nitro-2-pyridyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(3-nitro-2-pyridinyl)-N-propan-2-yl-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(3-nitropyridin-2-yl)-N-propan-2-yl-1,4-diazepane-1-carbothioamide Traditional Name: N-isopropyl-4-(3-nitro-2-pyridyl)-1,4-diazepane-1-carbothioamide Formula: C14H21N5O2S MolecularWeight: 323.41384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N5O2S/c1-11(2)16-14(22)18-8-4-7-17(9-10-18)13-12(19(20)21)5-3-6-15-13/h3,5-6,11H,4,7-10H2,1-2H3,(H,16,22)