4-[2,5-bis(chloranyl)phenyl]sulfonyl-N-(3-ethanoylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[2,5-bis(chloranyl)phenyl]sulfonyl-N-(3-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-(2,5-dichlorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-(2,5-dichlorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-(2,5-dichlorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C19H19Cl2N3O3S2 MolecularWeight: 472.40846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19Cl2N3O3S2/c1-13(25)14-3-2-4-16(11-14)22-19(28)23-7-9-24(10-8-23)29(26,27)18-12-15(20)5-6-17(18)21/h2-6,11-12H,7-10H2,1H3,(H,22,28)