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

Systemtic Name: 4-[2,5-bis(chloranyl)phenyl]sulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dichlorophenyl)sulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dichlorophenyl)sulfonyl-N-(2,3-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dichlorophenyl)sulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dichlorophenyl)sulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Formula: C19H21Cl2N3O2S2 MolecularWeight: 458.42494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21Cl2N3O2S2/c1-13-4-3-5-17(14(13)2)22-19(27)23-8-10-24(11-9-23)28(25,26)18-12-15(20)6-7-16(18)21/h3-7,12H,8-11H2,1-2H3,(H,22,27)