1-(2-ethyl-6-methyl-phenyl)-3-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[2-[(2-fluorophenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[2-[(2-fluorophenyl)sulfonylamino]-4-(methylthio)butanoyl]amino]thiourea Formula: C21H27FN4O3S3 MolecularWeight: 498.657483

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C(CCSC)NS(=O)(=O)C2=CC=CC=C2F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)C(CCSC)NS(=O)(=O)C2=CC=CC=C2F)C

InChI

InChI=1S/C21H27FN4O3S3/c1-4-15-9-7-8-14(2)19(15)23-21(30)25-24-20(27)17(12-13-31-3)26-32(28,29)18-11-6-5-10-16(18)22/h5-11,17,26H,4,12-13H2,1-3H3,(H,24,27)(H2,23,25,30)