N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]ethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]ethyl]-4-ethoxy-3-nitro-benzamide Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN2O4S/c1-2-25-17-8-5-14(11-16(17)21(23)24)18(22)20-9-10-26-12-13-3-6-15(19)7-4-13/h3-8,11H,2,9-10,12H2,1H3,(H,20,22)