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

Systemtic Name: N-(2,5-dimethylphenyl)-4-(2-phenylethenylsulfonyl)piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-4-styrylsulfonyl-piperazine-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-4-(2-phenylethenylsulfonyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-4-(2-phenylethenylsulfonyl)piperazine-1-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)-4-styrylsulfonyl-piperazine-1-carbothioamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S2/c1-17-8-9-18(2)20(16-17)22-21(27)23-11-13-24(14-12-23)28(25,26)15-10-19-6-4-3-5-7-19/h3-10,15-16H,11-14H2,1-2H3,(H,22,27)