2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide Openeye Name: 2-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-4-methyl-N-phenyl-thiazole-5-carboxamide CAS Name: 2-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-4-methyl-N-phenyl-5-thiazolecarboxamide IUPAC Name: 2-[(3-chloro-4-fluorophenyl)carbamothioylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-4-methyl-N-phenyl-thiazole-5-carboxamide Formula: C18H14ClFN4OS2 MolecularWeight: 420.911363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=S)NC2=CC(=C(C=C2)F)Cl)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=N1)NC(=S)NC2=CC(=C(C=C2)F)Cl)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H14ClFN4OS2/c1-10-15(16(25)22-11-5-3-2-4-6-11)27-18(21-10)24-17(26)23-12-7-8-14(20)13(19)9-12/h2-9H,1H3,(H,22,25)(H2,21,23,24,26)