1-[2-(4-methylpiperazin-1-yl)ethyl]-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea

Systemtic Name: 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea Openeye Name: 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea CAS Name: 1-[2-(4-methyl-1-piperazinyl)ethyl]-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea IUPAC Name: 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea Traditional Name: 1-[2-(4-methylpiperazino)ethyl]-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea Formula: C20H28N6O4S3 MolecularWeight: 512.66912

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CN1CCN(CC1)CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H28N6O4S3/c1-25-12-14-26(15-13-25)11-10-22-20(31)23-16-2-8-19(9-3-16)33(29,30)24-17-4-6-18(7-5-17)32(21,27)28/h2-9,24H,10-15H2,1H3,(H2,21,27,28)(H2,22,23,31)