2-[2-chloranyl-4-(4-methylpiperazin-1-yl)carbothioyl-phenoxy]-N-(2,4-dimethylphenyl)ethanamide

Systemtic Name: 2-[2-chloranyl-4-(4-methylpiperazin-1-yl)carbothioyl-phenoxy]-N-(2,4-dimethylphenyl)ethanamide Openeye Name: 2-[2-chloro-4-(4-methylpiperazine-1-carbothioyl)phenoxy]-N-(2,4-dimethylphenyl)acetamide CAS Name: 2-[2-chloro-4-[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide IUPAC Name: 2-[2-chloro-4-(4-methylpiperazine-1-carbothioyl)phenoxy]-N-(2,4-dimethylphenyl)acetamide Traditional Name: 2-[2-chloro-4-(4-methylpiperazine-1-carbothioyl)phenoxy]-N-(2,4-dimethylphenyl)acetamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=S)N3CCN(CC3)C)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=S)N3CCN(CC3)C)Cl)C

InChI

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