4-ethoxy-5-methoxy-2-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzamide

Systemtic Name: 4-ethoxy-5-methoxy-2-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzamide Openeye Name: N-(2-benzylsulfanylethyl)-4-ethoxy-5-methoxy-2-nitro-benzamide CAS Name: 4-ethoxy-5-methoxy-2-nitro-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-ethoxy-5-methoxy-2-nitrobenzamide Traditional Name: N-[2-(benzylthio)ethyl]-4-ethoxy-5-methoxy-2-nitro-benzamide Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S/c1-3-26-18-12-16(21(23)24)15(11-17(18)25-2)19(22)20-9-10-27-13-14-7-5-4-6-8-14/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,20,22)