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

Systemtic Name: 2-[[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-propan-2-yl-amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(3-chloro-4-fluoro-phenyl)carbamoyl-isopropyl-amino]methyl]-N-isopropyl-thiazole-4-carboxamide CAS Name: 2-[[[(3-chloro-4-fluoroanilino)-oxomethyl]-propan-2-ylamino]methyl]-N-propan-2-yl-4-thiazolecarboxamide IUPAC Name: 2-[[(3-chloro-4-fluorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(3-chloro-4-fluoro-phenyl)carbamoyl-isopropyl-amino]methyl]-N-isopropyl-thiazole-4-carboxamide Formula: C18H22ClFN4O2S MolecularWeight: 412.909283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClFN4O2S/c1-10(2)21-17(25)15-9-27-16(23-15)8-24(11(3)4)18(26)22-12-5-6-14(20)13(19)7-12/h5-7,9-11H,8H2,1-4H3,(H,21,25)(H,22,26)