N-(2-ethylpiperidin-1-yl)carbothioyl-4-nitro-benzamide

Systemtic Name: N-(2-ethylpiperidin-1-yl)carbothioyl-4-nitro-benzamide Openeye Name: N-(2-ethylpiperidine-1-carbothioyl)-4-nitro-benzamide CAS Name: N-[(2-ethyl-1-piperidinyl)-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-(2-ethylpiperidine-1-carbothioyl)-4-nitrobenzamide Traditional Name: N-(2-ethylpiperidine-1-carbothioyl)-4-nitro-benzamide Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O3S/c1-2-12-5-3-4-10-17(12)15(22)16-14(19)11-6-8-13(9-7-11)18(20)21/h6-9,12H,2-5,10H2,1H3,(H,16,19,22)