1-(pyridin-2-ylmethyl)-3-[4-[(4-sulfamoylphenyl)methylsulfamoyl]phenyl]thiourea

Systemtic Name: 1-(pyridin-2-ylmethyl)-3-[4-[(4-sulfamoylphenyl)methylsulfamoyl]phenyl]thiourea Openeye Name: 1-(2-pyridylmethyl)-3-[4-[(4-sulfamoylphenyl)methylsulfamoyl]phenyl]thiourea CAS Name: 1-(2-pyridinylmethyl)-3-[4-[(4-sulfamoylphenyl)methylsulfamoyl]phenyl]thiourea IUPAC Name: 1-(pyridin-2-ylmethyl)-3-[4-[(4-sulfamoylphenyl)methylsulfamoyl]phenyl]thiourea Traditional Name: 1-(2-pyridylmethyl)-3-[4-[(4-sulfamoylbenzyl)sulfamoyl]phenyl]thiourea Formula: C20H21N5O4S3 MolecularWeight: 491.60684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=NC(=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H21N5O4S3/c21-31(26,27)18-8-4-15(5-9-18)13-24-32(28,29)19-10-6-16(7-11-19)25-20(30)23-14-17-3-1-2-12-22-17/h1-12,24H,13-14H2,(H2,21,26,27)(H2,23,25,30)