ethyl N-[[4-[(2-chloranyl-5-nitro-phenyl)carbonyl-phenyl-amino]phenyl]carbamothioyl]carbamate

Systemtic Name: ethyl N-[[4-[(2-chloranyl-5-nitro-phenyl)carbonyl-phenyl-amino]phenyl]carbamothioyl]carbamate Openeye Name: ethyl N-[[4-(N-(2-chloro-5-nitro-benzoyl)anilino)phenyl]carbamothioyl]carbamate CAS Name: N-[[4-(N-[(2-chloro-5-nitrophenyl)-oxomethyl]anilino)anilino]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[4-(N-(2-chloro-5-nitrobenzoyl)anilino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[4-(N-(2-chloro-5-nitro-benzoyl)anilino)phenyl]thiocarbamoyl]carbamic acid ethyl ester Formula: C23H19ClN4O5S MolecularWeight: 498.93876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)NC(=S)NC1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H19ClN4O5S/c1-2-33-23(30)26-22(34)25-15-8-10-17(11-9-15)27(16-6-4-3-5-7-16)21(29)19-14-18(28(31)32)12-13-20(19)24/h3-14H,2H2,1H3,(H2,25,26,30,34)