N-[(4-cyanophenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(4-cyanophenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(4-cyanophenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[(4-cyanoanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(4-cyanophenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(4-cyanophenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C15H10N4O3S MolecularWeight: 326.3299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H10N4O3S/c16-9-10-4-6-12(7-5-10)17-15(23)18-14(20)11-2-1-3-13(8-11)19(21)22/h1-8H,(H2,17,18,20,23)