1-[1-(2-chloranyl-6-fluoranyl-phenyl)butan-2-yl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiourea

Systemtic Name: 1-[1-(2-chloranyl-6-fluoranyl-phenyl)butan-2-yl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiourea Openeye Name: 1-[1-[(2-chloro-6-fluoro-phenyl)methyl]propyl]-3-[4-(3-pyridyl)thiazol-2-yl]thiourea CAS Name: 1-[1-(2-chloro-6-fluorophenyl)butan-2-yl]-3-[4-(3-pyridinyl)-2-thiazolyl]thiourea IUPAC Name: 1-[1-(2-chloro-6-fluorophenyl)butan-2-yl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiourea Traditional Name: 1-[1-(2-chloro-6-fluoro-benzyl)propyl]-3-[4-(3-pyridyl)thiazol-2-yl]thiourea Formula: C19H18ClFN4S2 MolecularWeight: 420.954423

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=C(C=CC=C1Cl)F)NC(=S)NC2=NC(=CS2)C3=CN=CC=C3

Isomeric SMILES

CCC(CC1=C(C=CC=C1Cl)F)NC(=S)NC2=NC(=CS2)C3=CN=CC=C3

InChI

InChI=1S/C19H18ClFN4S2/c1-2-13(9-14-15(20)6-3-7-16(14)21)23-18(26)25-19-24-17(11-27-19)12-5-4-8-22-10-12/h3-8,10-11,13H,2,9H2,1H3,(H2,23,24,25,26)