N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[(4-chloro-2-nitro-phenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[(4-chloro-2-nitroanilino)-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[(4-chloro-2-nitrophenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[(4-chloro-2-nitro-phenyl)thiocarbamoyl]-3-(2-phenoxyethoxy)benzamide Formula: C22H18ClN3O5S MolecularWeight: 471.91342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H18ClN3O5S/c23-16-9-10-19(20(14-16)26(28)29)24-22(32)25-21(27)15-5-4-8-18(13-15)31-12-11-30-17-6-2-1-3-7-17/h1-10,13-14H,11-12H2,(H2,24,25,27,32)