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

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide CAS Name: 2-(cyanomethylthio)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide Traditional Name: 2-(cyanomethylthio)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-3-25-18-10-9-16(15-19(18)26-4-2)11-13-23-21(24)17-7-5-6-8-20(17)27-14-12-22/h5-10,15H,3-4,11,13-14H2,1-2H3,(H,23,24)