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

Systemtic Name: 2-chloranyl-5-nitro-N-phenyl-N-[2-(pyridin-4-ylcarbamothioylamino)phenyl]benzamide Openeye Name: 2-chloro-5-nitro-N-phenyl-N-[2-(4-pyridylcarbamothioylamino)phenyl]benzamide CAS Name: 2-chloro-5-nitro-N-phenyl-N-[2-[[(pyridin-4-ylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-chloro-5-nitro-N-phenyl-N-[2-(pyridin-4-ylcarbamothioylamino)phenyl]benzamide Traditional Name: 2-chloro-5-nitro-N-phenyl-N-[2-(4-pyridylthiocarbamoylamino)phenyl]benzamide Formula: C25H18ClN5O3S MolecularWeight: 503.96012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2NC(=S)NC3=CC=NC=C3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2NC(=S)NC3=CC=NC=C3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C25H18ClN5O3S/c26-21-11-10-19(31(33)34)16-20(21)24(32)30(18-6-2-1-3-7-18)23-9-5-4-8-22(23)29-25(35)28-17-12-14-27-15-13-17/h1-16H,(H2,27,28,29,35)