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

Systemtic Name: 3-nitro-N-[(4-phenylazanylphenyl)carbamothioyl]benzamide Openeye Name: N-[(4-anilinophenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[(4-anilinoanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(4-anilinophenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(4-anilinophenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C20H16N4O3S MolecularWeight: 392.43104

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O3S/c25-19(14-5-4-8-18(13-14)24(26)27)23-20(28)22-17-11-9-16(10-12-17)21-15-6-2-1-3-7-15/h1-13,21H,(H2,22,23,25,28)