1-(4-fluoranyl-3-nitro-phenyl)-3-(4-hexan-2-ylphenyl)-1-(pyridin-4-ylmethyl)thiourea hydrochloride

Systemtic Name: 1-(4-fluoranyl-3-nitro-phenyl)-3-(4-hexan-2-ylphenyl)-1-(pyridin-4-ylmethyl)thiourea hydrochloride Openeye Name: 1-(4-fluoro-3-nitro-phenyl)-3-[4-(1-methylpentyl)phenyl]-1-(4-pyridylmethyl)thiourea hydrochloride CAS Name: 1-(4-fluoro-3-nitrophenyl)-3-(4-hexan-2-ylphenyl)-1-(pyridin-4-ylmethyl)thiourea hydrochloride IUPAC Name: 1-(4-fluoro-3-nitrophenyl)-3-(4-hexan-2-ylphenyl)-1-(pyridin-4-ylmethyl)thiourea hydrochloride Traditional Name: 1-(4-fluoro-3-nitro-phenyl)-3-[4-(1-methylpentyl)phenyl]-1-(4-pyridylmethyl)thiourea hydrochloride Formula: C25H28ClFN4O2S MolecularWeight: 503.031823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1=CC=C(C=C1)NC(=S)N(CC2=CC=NC=C2)C3=CC(=C(C=C3)F)[N+](=O)[O-].Cl

Isomeric SMILES

CCCCC(C)C1=CC=C(C=C1)NC(=S)N(CC2=CC=NC=C2)C3=CC(=C(C=C3)F)[N+](=O)[O-].Cl

InChI

InChI=1S/C25H27FN4O2S.ClH/c1-3-4-5-18(2)20-6-8-21(9-7-20)28-25(33)29(17-19-12-14-27-15-13-19)22-10-11-23(26)24(16-22)30(31)32;/h6-16,18H,3-5,17H2,1-2H3,(H,28,33);1H