4-chloranyl-N-(heptylcarbamothioyl)-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-(heptylcarbamothioyl)-3-nitro-benzamide Openeye Name: 4-chloro-N-(heptylcarbamothioyl)-3-nitro-benzamide CAS Name: 4-chloro-N-[(heptylamino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-(heptylcarbamothioyl)-3-nitrobenzamide Traditional Name: 4-chloro-N-(heptylthiocarbamoyl)-3-nitro-benzamide Formula: C15H20ClN3O3S MolecularWeight: 357.8556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCNC(=S)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H20ClN3O3S/c1-2-3-4-5-6-9-17-15(23)18-14(20)11-7-8-12(16)13(10-11)19(21)22/h7-8,10H,2-6,9H2,1H3,(H2,17,18,20,23)