4-(5-chloranylthiophen-2-yl)sulfonyl-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(5-chloranylthiophen-2-yl)sulfonyl-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(5-chloro-2-thienyl)sulfonyl]-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-[(5-chloro-2-thiophenyl)sulfonyl]-N-(3,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(5-chlorothiophen-2-yl)sulfonyl-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[(5-chloro-2-thienyl)sulfonyl]-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C17H20ClN3O2S3 MolecularWeight: 430.0076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)C

InChI

InChI=1S/C17H20ClN3O2S3/c1-12-9-13(2)11-14(10-12)19-17(24)20-5-7-21(8-6-20)26(22,23)16-4-3-15(18)25-16/h3-4,9-11H,5-8H2,1-2H3,(H,19,24)