4-(2,5-dimethylphenyl)sulfonyl-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-benzyl-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S2/c1-16-8-9-17(2)19(14-16)27(24,25)23-12-10-22(11-13-23)20(26)21-15-18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,21,26)