1-[2-(2-butylbenzimidazol-1-yl)ethanoylamino]-3-(3-fluoranyl-4-methyl-phenyl)thiourea

Systemtic Name: 1-[2-(2-butylbenzimidazol-1-yl)ethanoylamino]-3-(3-fluoranyl-4-methyl-phenyl)thiourea Openeye Name: 1-[[2-(2-butylbenzimidazol-1-yl)acetyl]amino]-3-(3-fluoro-4-methyl-phenyl)thiourea CAS Name: 1-[[2-(2-butyl-1-benzimidazolyl)-1-oxoethyl]amino]-3-(3-fluoro-4-methylphenyl)thiourea IUPAC Name: 1-[[2-(2-butylbenzimidazol-1-yl)acetyl]amino]-3-(3-fluoro-4-methylphenyl)thiourea Traditional Name: 1-[[2-(2-butylbenzimidazol-1-yl)acetyl]amino]-3-(3-fluoro-4-methyl-phenyl)thiourea Formula: C21H24FN5OS MolecularWeight: 413.511563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2N1CC(=O)NNC(=S)NC3=CC(=C(C=C3)C)F

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2N1CC(=O)NNC(=S)NC3=CC(=C(C=C3)C)F

InChI

InChI=1S/C21H24FN5OS/c1-3-4-9-19-24-17-7-5-6-8-18(17)27(19)13-20(28)25-26-21(29)23-15-11-10-14(2)16(22)12-15/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,25,28)(H2,23,26,29)