N-(naphthalen-1-ylcarbamothioyl)-3,5-dinitro-benzamide

Systemtic Name: N-(naphthalen-1-ylcarbamothioyl)-3,5-dinitro-benzamide Openeye Name: N-(1-naphthylcarbamothioyl)-3,5-dinitro-benzamide CAS Name: N-[(1-naphthalenylamino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-(naphthalen-1-ylcarbamothioyl)-3,5-dinitrobenzamide Traditional Name: N-(1-naphthylthiocarbamoyl)-3,5-dinitro-benzamide Formula: C18H12N4O5S MolecularWeight: 396.37668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O5S/c23-17(12-8-13(21(24)25)10-14(9-12)22(26)27)20-18(28)19-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H,(H2,19,20,23,28)