2-[2-[(4-cyanophenyl)methylsulfanyl]ethanoyl-methyl-amino]-N-(3,4-diethoxyphenyl)ethanamide

Systemtic Name: 2-[2-[(4-cyanophenyl)methylsulfanyl]ethanoyl-methyl-amino]-N-(3,4-diethoxyphenyl)ethanamide Openeye Name: 2-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]-methyl-amino]-N-(3,4-diethoxyphenyl)acetamide CAS Name: 2-[[2-[(4-cyanophenyl)methylthio]-1-oxoethyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide IUPAC Name: 2-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide Traditional Name: 2-[[2-[(4-cyanobenzyl)thio]acetyl]-methyl-amino]-N-(3,4-diethoxyphenyl)acetamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)CSCC2=CC=C(C=C2)C#N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)CSCC2=CC=C(C=C2)C#N)OCC

InChI

InChI=1S/C23H27N3O4S/c1-4-29-20-11-10-19(12-21(20)30-5-2)25-22(27)14-26(3)23(28)16-31-15-18-8-6-17(13-24)7-9-18/h6-12H,4-5,14-16H2,1-3H3,(H,25,27)