4-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(4-chlorophenyl)sulfonyl-N-(3-pyridylmethyl)piperazine-1-carbothioamide CAS Name: 4-(4-chlorophenyl)sulfonyl-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(4-chlorophenyl)sulfonyl-N-(3-pyridylmethyl)piperazine-1-carbothioamide Formula: C17H19ClN4O2S2 MolecularWeight: 410.94136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN4O2S2/c18-15-3-5-16(6-4-15)26(23,24)22-10-8-21(9-11-22)17(25)20-13-14-2-1-7-19-12-14/h1-7,12H,8-11,13H2,(H,20,25)