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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)Cl)Cl

InChI

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