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

Systemtic Name: 3,5-dinitro-N-[(4-phenylazanylphenyl)carbamothioyl]benzamide Openeye Name: N-[(4-anilinophenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(4-anilinoanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(4-anilinophenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(4-anilinophenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C20H15N5O5S MolecularWeight: 437.4286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5O5S/c26-19(13-10-17(24(27)28)12-18(11-13)25(29)30)23-20(31)22-16-8-6-15(7-9-16)21-14-4-2-1-3-5-14/h1-12,21H,(H2,22,23,26,31)