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

Systemtic Name: 1-[2-(benzimidazol-1-yl)ethanoylamino]-3-(3-fluoranyl-4-methyl-phenyl)thiourea Openeye Name: 1-[[2-(benzimidazol-1-yl)acetyl]amino]-3-(3-fluoro-4-methyl-phenyl)thiourea CAS Name: 1-[[2-(1-benzimidazolyl)-1-oxoethyl]amino]-3-(3-fluoro-4-methylphenyl)thiourea IUPAC Name: 1-[[2-(benzimidazol-1-yl)acetyl]amino]-3-(3-fluoro-4-methylphenyl)thiourea Traditional Name: 1-[[2-(benzimidazol-1-yl)acetyl]amino]-3-(3-fluoro-4-methyl-phenyl)thiourea Formula: C17H16FN5OS MolecularWeight: 357.405243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)CN2C=NC3=CC=CC=C32)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)CN2C=NC3=CC=CC=C32)F

InChI

InChI=1S/C17H16FN5OS/c1-11-6-7-12(8-13(11)18)20-17(25)22-21-16(24)9-23-10-19-14-4-2-3-5-15(14)23/h2-8,10H,9H2,1H3,(H,21,24)(H2,20,22,25)