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

Systemtic Name: 4-[2,5-bis(chloranyl)phenyl]sulfonyl-N-(3,4-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dichlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dichlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dichlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dichlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)piperazine-1-carbothioamide Formula: C19H21Cl2N3O2S2 MolecularWeight: 458.42494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)C

InChI

InChI=1S/C19H21Cl2N3O2S2/c1-13-3-5-16(11-14(13)2)22-19(27)23-7-9-24(10-8-23)28(25,26)18-12-15(20)4-6-17(18)21/h3-6,11-12H,7-10H2,1-2H3,(H,22,27)