N-(3-chloranyl-4-methyl-phenyl)-2-[4-(4-ethylpiperazin-1-yl)carbothioylphenoxy]ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[4-(4-ethylpiperazin-1-yl)carbothioylphenoxy]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[4-(4-ethylpiperazine-1-carbothioyl)phenoxy]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[4-[(4-ethyl-1-piperazinyl)-sulfanylidenemethyl]phenoxy]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[4-(4-ethylpiperazine-1-carbothioyl)phenoxy]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[4-(4-ethylpiperazine-1-carbothioyl)phenoxy]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)17-5-8-19(9-6-17)28-15-21(27)24-18-7-4-16(2)20(23)14-18/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27)