N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(dimethylamino)-5-nitro-benzamide

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(dimethylamino)-5-nitro-benzamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(dimethylamino)-5-nitro-benzamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]ethyl]-2-(dimethylamino)-5-nitrobenzamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(dimethylamino)-5-nitrobenzamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]ethyl]-2-(dimethylamino)-5-nitro-benzamide Formula: C18H20ClN3O3S MolecularWeight: 393.8877

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCSCC2=CC=C(C=C2)Cl

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCSCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H20ClN3O3S/c1-21(2)17-8-7-15(22(24)25)11-16(17)18(23)20-9-10-26-12-13-3-5-14(19)6-4-13/h3-8,11H,9-10,12H2,1-2H3,(H,20,23)