N-(2-chloranyl-4-methyl-phenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-chloro-4-methylphenyl)-4-(4-chlorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-4-methylphenyl)-4-(4-chlorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H19Cl2N3O2S2 MolecularWeight: 444.39836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19Cl2N3O2S2/c1-13-2-7-17(16(20)12-13)21-18(26)22-8-10-23(11-9-22)27(24,25)15-5-3-14(19)4-6-15/h2-7,12H,8-11H2,1H3,(H,21,26)