N-[4-[[[cyano-(4-methylsulfanylphenyl)methyl]amino]carbamoyl]-3-ethoxy-phenyl]ethanamide

Systemtic Name: N-[4-[[[cyano-(4-methylsulfanylphenyl)methyl]amino]carbamoyl]-3-ethoxy-phenyl]ethanamide Openeye Name: N-[4-[[[cyano-(4-methylsulfanylphenyl)methyl]amino]carbamoyl]-3-ethoxy-phenyl]acetamide CAS Name: N-[4-[[[cyano-[4-(methylthio)phenyl]methyl]hydrazo]-oxomethyl]-3-ethoxyphenyl]acetamide IUPAC Name: N-[4-[[[cyano-(4-methylsulfanylphenyl)methyl]amino]carbamoyl]-3-ethoxyphenyl]acetamide Traditional Name: N-[4-[[[cyano-[4-(methylthio)phenyl]methyl]amino]carbamoyl]-3-ethoxy-phenyl]acetamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NNC(C#N)C2=CC=C(C=C2)SC

Isomeric SMILES

CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NNC(C#N)C2=CC=C(C=C2)SC

InChI

InChI=1S/C20H22N4O3S/c1-4-27-19-11-15(22-13(2)25)7-10-17(19)20(26)24-23-18(12-21)14-5-8-16(28-3)9-6-14/h5-11,18,23H,4H2,1-3H3,(H,22,25)(H,24,26)