1-(3-chloranyl-5-fluoranyl-phenyl)-3-[3-(1-pentan-2-ylpiperidin-4-yl)-1-benzothiophen-5-yl]thiourea

Systemtic Name: 1-(3-chloranyl-5-fluoranyl-phenyl)-3-[3-(1-pentan-2-ylpiperidin-4-yl)-1-benzothiophen-5-yl]thiourea Openeye Name: 1-(3-chloro-5-fluoro-phenyl)-3-[3-[1-(1-methylbutyl)-4-piperidyl]benzothiophen-5-yl]thiourea CAS Name: 1-(3-chloro-5-fluorophenyl)-3-[3-(1-pentan-2-yl-4-piperidinyl)-1-benzothiophen-5-yl]thiourea IUPAC Name: 1-(3-chloro-5-fluorophenyl)-3-[3-(1-pentan-2-ylpiperidin-4-yl)-1-benzothiophen-5-yl]thiourea Traditional Name: 1-(3-chloro-5-fluoro-phenyl)-3-[3-[1-(1-methylbutyl)-4-piperidyl]benzothiophen-5-yl]thiourea Formula: C25H29ClFN3S2 MolecularWeight: 490.099263

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1CCC(CC1)C2=CSC3=C2C=C(C=C3)NC(=S)NC4=CC(=CC(=C4)Cl)F

Isomeric SMILES

CCCC(C)N1CCC(CC1)C2=CSC3=C2C=C(C=C3)NC(=S)NC4=CC(=CC(=C4)Cl)F

InChI

InChI=1S/C25H29ClFN3S2/c1-3-4-16(2)30-9-7-17(8-10-30)23-15-32-24-6-5-20(14-22(23)24)28-25(31)29-21-12-18(26)11-19(27)13-21/h5-6,11-17H,3-4,7-10H2,1-2H3,(H2,28,29,31)