N-(3-chloranyl-4-methyl-phenyl)-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-methylphenyl)-4-(2,5-dimethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C20H24ClN3O2S2 MolecularWeight: 438.00646

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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(=C(C=C3)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O2S2/c1-14-4-5-16(3)19(12-14)28(25,26)24-10-8-23(9-11-24)20(27)22-17-7-6-15(2)18(21)13-17/h4-7,12-13H,8-11H2,1-3H3,(H,22,27)