4-(2,5-dimethylphenyl)sulfonyl-N-(3-ethanoylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-(2,5-dimethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C21H25N3O3S2/c1-15-7-8-16(2)20(13-15)29(26,27)24-11-9-23(10-12-24)21(28)22-19-6-4-5-18(14-19)17(3)25/h4-8,13-14H,9-12H2,1-3H3,(H,22,28)