N-[2,5-bis(chloranyl)phenyl]-4-(4-ethanoylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-[2,5-bis(chloranyl)phenyl]-4-(4-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-(2,5-dichlorophenyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-(2,5-dichlorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-(2,5-dichlorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-(2,5-dichlorophenyl)piperazine-1-carbothioamide Formula: C19H19Cl2N3OS MolecularWeight: 408.34466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C19H19Cl2N3OS/c1-13(25)14-2-5-16(6-3-14)23-8-10-24(11-9-23)19(26)22-18-12-15(20)4-7-17(18)21/h2-7,12H,8-11H2,1H3,(H,22,26)