2-[3-[(5-chloranyl-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]phenyl]-2-cyano-ethanamide

Systemtic Name: 2-[3-[(5-chloranyl-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]phenyl]-2-cyano-ethanamide Openeye Name: 2-[3-[(5-chloro-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]phenyl]-2-cyano-acetamide CAS Name: 2-[3-[[[[(5-chloro-2,4-dimethoxyphenyl)thio]amino]-oxomethyl]amino]phenyl]-2-cyanoacetamide IUPAC Name: 2-[3-[(5-chloro-2,4-dimethoxyphenyl)sulfanylcarbamoylamino]phenyl]-2-cyanoacetamide Traditional Name: 2-[3-[[(5-chloro-2,4-dimethoxy-phenyl)thio]carbamoylamino]phenyl]-2-cyano-acetamide Formula: C18H17ClN4O4S MolecularWeight: 420.86998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1SNC(=O)NC2=CC=CC(=C2)C(C#N)C(=O)N)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1SNC(=O)NC2=CC=CC(=C2)C(C#N)C(=O)N)Cl)OC

InChI

InChI=1S/C18H17ClN4O4S/c1-26-14-8-15(27-2)16(7-13(14)19)28-23-18(25)22-11-5-3-4-10(6-11)12(9-20)17(21)24/h3-8,12H,1-2H3,(H2,21,24)(H2,22,23,25)