2-[2-chloranyl-4-(4-ethylpiperazin-1-yl)carbothioyl-phenoxy]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[2-chloranyl-4-(4-ethylpiperazin-1-yl)carbothioyl-phenoxy]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[2-chloro-4-(4-ethylpiperazine-1-carbothioyl)phenoxy]-N-(p-tolyl)acetamide CAS Name: 2-[2-chloro-4-[(4-ethyl-1-piperazinyl)-sulfanylidenemethyl]phenoxy]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[2-chloro-4-(4-ethylpiperazine-1-carbothioyl)phenoxy]-N-(4-methylphenyl)acetamide Traditional Name: 2-[2-chloro-4-(4-ethylpiperazine-1-carbothioyl)phenoxy]-N-(p-tolyl)acetamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=S)C2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)C)Cl

Isomeric SMILES

CCN1CCN(CC1)C(=S)C2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)C)Cl

InChI

InChI=1S/C22H26ClN3O2S/c1-3-25-10-12-26(13-11-25)22(29)17-6-9-20(19(23)14-17)28-15-21(27)24-18-7-4-16(2)5-8-18/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27)