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

Systemtic Name: N-[(4-chlorophenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(4-chlorophenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[(4-chloroanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(4-chlorophenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(4-chlorophenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C14H10ClN3O3S MolecularWeight: 335.7655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10ClN3O3S/c15-10-4-6-11(7-5-10)16-14(22)17-13(19)9-2-1-3-12(8-9)18(20)21/h1-8H,(H2,16,17,19,22)