4-chloranyl-N-[(2-naphthalen-1-ylethanoylamino)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2-naphthalen-1-ylethanoylamino)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[[2-(1-naphthyl)acetyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[[2-(1-naphthalenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[[2-(1-naphthyl)acetyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C20H15ClN4O4S MolecularWeight: 442.8755

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC(=O)NNC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC(=O)NNC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN4O4S/c21-16-9-8-14(10-17(16)25(28)29)19(27)22-20(30)24-23-18(26)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10H,11H2,(H,23,26)(H2,22,24,27,30)