4-(4-butylphenyl)sulfonyl-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-butylphenyl)sulfonyl-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]piperazine-1-carbothioamide Openeye Name: 4-(4-butylphenyl)sulfonyl-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]piperazine-1-carbothioamide CAS Name: 4-(4-butylphenyl)sulfonyl-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-butylphenyl)sulfonyl-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]piperazine-1-carbothioamide Traditional Name: 4-(4-butylphenyl)sulfonyl-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]piperazine-1-carbothioamide Formula: C27H31ClN4O4S3 MolecularWeight: 607.20744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H31ClN4O4S3/c1-2-3-4-21-5-13-26(14-6-21)39(35,36)32-19-17-31(18-20-32)27(37)29-23-11-15-25(16-12-23)38(33,34)30-24-9-7-22(28)8-10-24/h5-16,30H,2-4,17-20H2,1H3,(H,29,37)