2-[(4-cyanophenyl)methylsulfanyl]-N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]ethanamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]ethanamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]acetamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-[4-(4-ethyl-1-piperazinyl)-3-methylphenyl]acetamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]acetamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-[4-(4-ethylpiperazino)-3-methyl-phenyl]acetamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CSCC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CSCC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C23H28N4OS/c1-3-26-10-12-27(13-11-26)22-9-8-21(14-18(22)2)25-23(28)17-29-16-20-6-4-19(15-24)5-7-20/h4-9,14H,3,10-13,16-17H2,1-2H3,(H,25,28)