N-(2,3-dimethylphenyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2,3-dimethylphenyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-benzylsulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide CAS Name: N-(2,3-dimethylphenyl)-4-(phenylmethyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: 4-benzylsulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-benzylsulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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