N-(3,5-dimethylphenyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-benzylsulfonyl-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-4-(phenylmethyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: 4-benzylsulfonyl-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-benzylsulfonyl-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

InChI

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