N-butyl-2-[[butyl-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-butyl-2-[[butyl-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-butyl-2-[[butyl-[(3-chloro-4-fluoro-phenyl)carbamoyl]amino]methyl]thiazole-4-carboxamide CAS Name: N-butyl-2-[[butyl-[(3-chloro-4-fluoroanilino)-oxomethyl]amino]methyl]-4-thiazolecarboxamide IUPAC Name: N-butyl-2-[[butyl-[(3-chloro-4-fluorophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-butyl-2-[[butyl-[(3-chloro-4-fluoro-phenyl)carbamoyl]amino]methyl]thiazole-4-carboxamide Formula: C20H26ClFN4O2S MolecularWeight: 440.962443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)C(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)C(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C20H26ClFN4O2S/c1-3-5-9-23-19(27)17-13-29-18(25-17)12-26(10-6-4-2)20(28)24-14-7-8-16(22)15(21)11-14/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,23,27)(H,24,28)