1-(3-fluoranyl-4-methyl-phenyl)-3-[6-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)pyridin-3-yl]urea

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-[6-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)pyridin-3-yl]urea Openeye Name: 1-(3-fluoro-4-methyl-phenyl)-3-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridyl]urea CAS Name: 1-(3-fluoro-4-methylphenyl)-3-[6-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]urea IUPAC Name: 1-(3-fluoro-4-methylphenyl)-3-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-3-[6-[4-(2-thenoyl)-1,4-diazepan-1-yl]-3-pyridyl]urea Formula: C23H24FN5O2S MolecularWeight: 453.532363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=CS4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=CS4)F

InChI

InChI=1S/C23H24FN5O2S/c1-16-5-6-17(14-19(16)24)26-23(31)27-18-7-8-21(25-15-18)28-9-3-10-29(12-11-28)22(30)20-4-2-13-32-20/h2,4-8,13-15H,3,9-12H2,1H3,(H2,26,27,31)