2-(4-chlorophenyl)sulfanyl-N-(3,4-dipropoxyphenyl)-5-nitro-benzamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-(3,4-dipropoxyphenyl)-5-nitro-benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-(3,4-dipropoxyphenyl)-5-nitro-benzamide CAS Name: 2-[(4-chlorophenyl)thio]-N-(3,4-dipropoxyphenyl)-5-nitrobenzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-(3,4-dipropoxyphenyl)-5-nitrobenzamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-(3,4-dipropoxyphenyl)-5-nitro-benzamide Formula: C25H25ClN2O5S MolecularWeight: 500.9944

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl)OCCC

InChI

InChI=1S/C25H25ClN2O5S/c1-3-13-32-22-11-7-18(15-23(22)33-14-4-2)27-25(29)21-16-19(28(30)31)8-12-24(21)34-20-9-5-17(26)6-10-20/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,27,29)