3,5-dinitro-N-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[2-[(4-anilinoanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[2-[(4-anilinophenyl)carbamoyl]phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C27H20N6O6S MolecularWeight: 556.5493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3NC(=S)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3NC(=S)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H20N6O6S/c34-25(17-14-21(32(36)37)16-22(15-17)33(38)39)31-27(40)30-24-9-5-4-8-23(24)26(35)29-20-12-10-19(11-13-20)28-18-6-2-1-3-7-18/h1-16,28H,(H,29,35)(H2,30,31,34,40)