2-(4-chlorophenyl)sulfanyl-N-[4-(2-methoxyethanoylamino)phenyl]-5-nitro-benzamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[4-(2-methoxyethanoylamino)phenyl]-5-nitro-benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitro-benzamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[4-[(2-methoxy-1-oxoethyl)amino]phenyl]-5-nitrobenzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitro-benzamide Formula: C22H18ClN3O5S MolecularWeight: 471.91342

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

COCC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H18ClN3O5S/c1-31-13-21(27)24-15-4-6-16(7-5-15)25-22(28)19-12-17(26(29)30)8-11-20(19)32-18-9-2-14(23)3-10-18/h2-12H,13H2,1H3,(H,24,27)(H,25,28)