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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-4-(2,5-dimethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-chloro-2-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=C(C(=CC=C3)Cl)C

Isomeric SMILES

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

InChI

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