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

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[2-(phenylthio)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[2-(phenylthio)ethyl]piperazine-1-carbothioamide Formula: C21H27N3O2S3 MolecularWeight: 449.65298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S3/c1-17-8-9-18(2)20(16-17)29(25,26)24-13-11-23(12-14-24)21(27)22-10-15-28-19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,22,27)