1-(2-chloranyl-5-iodanyl-phenyl)-3-[3-(1-hexylpiperidin-4-yl)-1-benzofuran-5-yl]thiourea

Systemtic Name: 1-(2-chloranyl-5-iodanyl-phenyl)-3-[3-(1-hexylpiperidin-4-yl)-1-benzofuran-5-yl]thiourea Openeye Name: 1-(2-chloro-5-iodo-phenyl)-3-[3-(1-hexyl-4-piperidyl)benzofuran-5-yl]thiourea CAS Name: 1-(2-chloro-5-iodophenyl)-3-[3-(1-hexyl-4-piperidinyl)-5-benzofuranyl]thiourea IUPAC Name: 1-(2-chloro-5-iodophenyl)-3-[3-(1-hexylpiperidin-4-yl)-1-benzofuran-5-yl]thiourea Traditional Name: 1-(2-chloro-5-iodo-phenyl)-3-[3-(1-hexyl-4-piperidyl)benzofuran-5-yl]thiourea Formula: C26H31ClIN3OS MolecularWeight: 595.96631

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(CC1)C2=COC3=C2C=C(C=C3)NC(=S)NC4=C(C=CC(=C4)I)Cl

Isomeric SMILES

CCCCCCN1CCC(CC1)C2=COC3=C2C=C(C=C3)NC(=S)NC4=C(C=CC(=C4)I)Cl

InChI

InChI=1S/C26H31ClIN3OS/c1-2-3-4-5-12-31-13-10-18(11-14-31)22-17-32-25-9-7-20(16-21(22)25)29-26(33)30-24-15-19(28)6-8-23(24)27/h6-9,15-18H,2-5,10-14H2,1H3,(H2,29,30,33)