1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea

Systemtic Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea Openeye Name: 1-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea CAS Name: 1-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea IUPAC Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea Traditional Name: 1-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea Formula: C22H30N4O4S3 MolecularWeight: 510.693

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCC3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCC3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C22H30N4O4S3/c1-16-4-3-5-17(2)26(16)33(29,30)21-12-8-19(9-13-21)25-22(31)24-15-14-18-6-10-20(11-7-18)32(23,27)28/h6-13,16-17H,3-5,14-15H2,1-2H3,(H2,23,27,28)(H2,24,25,31)