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

Systemtic Name: 4-[2,5-bis(chloranyl)phenyl]sulfonyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dichlorophenyl)sulfonyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dichlorophenyl)sulfonyl-N-(3,5-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dichlorophenyl)sulfonyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dichlorophenyl)sulfonyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C19H21Cl2N3O4S2 MolecularWeight: 490.42374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)OC

InChI

InChI=1S/C19H21Cl2N3O4S2/c1-27-15-10-14(11-16(12-15)28-2)22-19(29)23-5-7-24(8-6-23)30(25,26)18-9-13(20)3-4-17(18)21/h3-4,9-12H,5-8H2,1-2H3,(H,22,29)