1-[2-(4-chloranyl-3,5-dimethyl-phenoxy)propanoylamino]-3-(4-sulfamoylphenyl)thiourea

Systemtic Name: 1-[2-(4-chloranyl-3,5-dimethyl-phenoxy)propanoylamino]-3-(4-sulfamoylphenyl)thiourea Openeye Name: 1-[2-(4-chloro-3,5-dimethyl-phenoxy)propanoylamino]-3-(4-sulfamoylphenyl)thiourea CAS Name: 1-[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxopropyl]amino]-3-(4-sulfamoylphenyl)thiourea IUPAC Name: 1-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]-3-(4-sulfamoylphenyl)thiourea Traditional Name: 1-[2-(4-chloro-3,5-dimethyl-phenoxy)propanoylamino]-3-(4-sulfamoylphenyl)thiourea Formula: C18H21ClN4O4S2 MolecularWeight: 456.96674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C18H21ClN4O4S2/c1-10-8-14(9-11(2)16(10)19)27-12(3)17(24)22-23-18(28)21-13-4-6-15(7-5-13)29(20,25)26/h4-9,12H,1-3H3,(H,22,24)(H2,20,25,26)(H2,21,23,28)