4-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(p-tolylsulfonyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-sulfamoylphenyl)-4-tosyl-piperazine-1-carbothioamide Formula: C18H22N4O4S3 MolecularWeight: 454.58668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S3/c1-14-2-6-17(7-3-14)29(25,26)22-12-10-21(11-13-22)18(27)20-15-4-8-16(9-5-15)28(19,23)24/h2-9H,10-13H2,1H3,(H,20,27)(H2,19,23,24)