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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC(=C3)Cl)Cl

InChI

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