2-chloranyl-5-nitro-N-[4-[4-(phenylcarbonylcarbamothioylamino)phenyl]phenyl]benzamide

Systemtic Name: 2-chloranyl-5-nitro-N-[4-[4-(phenylcarbonylcarbamothioylamino)phenyl]phenyl]benzamide Openeye Name: N-[4-[4-(benzoylcarbamothioylamino)phenyl]phenyl]-2-chloro-5-nitro-benzamide CAS Name: N-[4-[4-[[benzamido(sulfanylidene)methyl]amino]phenyl]phenyl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[4-[4-(benzoylcarbamothioylamino)phenyl]phenyl]-2-chloro-5-nitrobenzamide Traditional Name: N-[4-[4-(benzoylthiocarbamoylamino)phenyl]phenyl]-2-chloro-5-nitro-benzamide Formula: C27H19ClN4O4S MolecularWeight: 530.98216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H19ClN4O4S/c28-24-15-14-22(32(35)36)16-23(24)26(34)29-20-10-6-17(7-11-20)18-8-12-21(13-9-18)30-27(37)31-25(33)19-4-2-1-3-5-19/h1-16H,(H,29,34)(H2,30,31,33,37)