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

Systemtic Name: 2-chloranyl-5-nitro-N-phenyl-N-[4-(phenylcarbonylcarbamothioylamino)phenyl]benzamide Openeye Name: N-[4-(benzoylcarbamothioylamino)phenyl]-2-chloro-5-nitro-N-phenyl-benzamide CAS Name: N-[4-[[benzamido(sulfanylidene)methyl]amino]phenyl]-2-chloro-5-nitro-N-phenylbenzamide IUPAC Name: N-[4-(benzoylcarbamothioylamino)phenyl]-2-chloro-5-nitro-N-phenylbenzamide Traditional Name: N-[4-(benzoylthiocarbamoylamino)phenyl]-2-chloro-5-nitro-N-phenyl-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)N(C3=CC=CC=C3)C(=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)N(C3=CC=CC=C3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

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