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

Systemtic Name: N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-3-(2-ethoxyethoxy)benzamide Openeye Name: N-[(4-chloro-3-nitro-phenyl)carbamothioyl]-3-(2-ethoxyethoxy)benzamide CAS Name: N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]-3-(2-ethoxyethoxy)benzamide IUPAC Name: N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(2-ethoxyethoxy)benzamide Traditional Name: N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]-3-(2-ethoxyethoxy)benzamide Formula: C18H18ClN3O5S MolecularWeight: 423.87062

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O5S/c1-2-26-8-9-27-14-5-3-4-12(10-14)17(23)21-18(28)20-13-6-7-15(19)16(11-13)22(24)25/h3-7,10-11H,2,8-9H2,1H3,(H2,20,21,23,28)