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

Systemtic Name: 4-[2,5-bis(chloranyl)phenyl]sulfonyl-N-(4-butylphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-(2,5-dichlorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-(2,5-dichlorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-(2,5-dichlorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C21H25Cl2N3O2S2 MolecularWeight: 486.4781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C21H25Cl2N3O2S2/c1-2-3-4-16-5-8-18(9-6-16)24-21(29)25-11-13-26(14-12-25)30(27,28)20-15-17(22)7-10-19(20)23/h5-10,15H,2-4,11-14H2,1H3,(H,24,29)