N-[(4-butan-2-yloxy-3-chloranyl-5-methoxy-phenyl)methylideneamino]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[(4-butan-2-yloxy-3-chloranyl-5-methoxy-phenyl)methylideneamino]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[(3-chloro-5-methoxy-4-sec-butoxy-phenyl)methyleneamino]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methylideneamino]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[(3-chloro-5-methoxy-4-sec-butoxy-benzylidene)amino]-2-[(4-nitrophenyl)thio]acetamide Formula: C20H22ClN3O5S MolecularWeight: 451.92378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1Cl)C=NNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1Cl)C=NNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22ClN3O5S/c1-4-13(2)29-20-17(21)9-14(10-18(20)28-3)11-22-23-19(25)12-30-16-7-5-15(6-8-16)24(26)27/h5-11,13H,4,12H2,1-3H3,(H,23,25)