N-(4-chlorophenyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-chlorophenyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-benzylsulfonyl-N-(4-chlorophenyl)piperazine-1-carbothioamide CAS Name: N-(4-chlorophenyl)-4-(phenylmethyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: 4-benzylsulfonyl-N-(4-chlorophenyl)piperazine-1-carbothioamide Traditional Name: 4-benzylsulfonyl-N-(4-chlorophenyl)piperazine-1-carbothioamide Formula: C18H20ClN3O2S2 MolecularWeight: 409.9533

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=CC=C(C=C2)Cl)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=S)NC2=CC=C(C=C2)Cl)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H20ClN3O2S2/c19-16-6-8-17(9-7-16)20-18(25)21-10-12-22(13-11-21)26(23,24)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,25)