2-(cyanomethylsulfanyl)-N-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[2-(3,4-diethoxyanilino)-2-oxo-ethyl]-N-methyl-benzamide CAS Name: 2-(cyanomethylthio)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide Traditional Name: 2-(cyanomethylthio)-N-[2-(3,4-diethoxyanilino)-2-keto-ethyl]-N-methyl-benzamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=CC=C2SCC#N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=CC=C2SCC#N)OCC

InChI

InChI=1S/C22H25N3O4S/c1-4-28-18-11-10-16(14-19(18)29-5-2)24-21(26)15-25(3)22(27)17-8-6-7-9-20(17)30-13-12-23/h6-11,14H,4-5,13,15H2,1-3H3,(H,24,26)