4-(3-chlorophenyl)sulfonyl-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(3-chlorophenyl)sulfonyl-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(3-chlorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(3-chlorophenyl)sulfonyl-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(3-chlorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-benzyl-4-(3-chlorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H20ClN3O2S2 MolecularWeight: 409.9533

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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