2-(4-chlorophenyl)sulfanyl-N-[3-(ethylcarbamoyl)phenyl]-5-nitro-benzamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[3-(ethylcarbamoyl)phenyl]-5-nitro-benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[3-(ethylcarbamoyl)phenyl]-5-nitro-benzamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[3-(ethylcarbamoyl)phenyl]-5-nitrobenzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[3-(ethylcarbamoyl)phenyl]-5-nitrobenzamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[3-(ethylcarbamoyl)phenyl]-5-nitro-benzamide Formula: C22H18ClN3O4S MolecularWeight: 455.91402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O4S/c1-2-24-21(27)14-4-3-5-16(12-14)25-22(28)19-13-17(26(29)30)8-11-20(19)31-18-9-6-15(23)7-10-18/h3-13H,2H2,1H3,(H,24,27)(H,25,28)